Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2012-09-11 19:59:06 UTC |
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Update Date | 2022-03-07 02:54:20 UTC |
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HMDB ID | HMDB0035045 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Gibberellin A39 |
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Description | Gibberellin A39 (GA39) belongs to the class of organic compounds known as C20-gibberellin 20-carboxylic acids. These are C20-gibberellins with a carboxyl group at the 6-position. Gibberellin A39 is found in fruits. Gibberellin A39 is a constituent of the seeds of Cucurbita pepo and Cucurbita maxima. |
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Structure | [H][C@@]12C[C@H](O)[C@@H]3C[C@]1(CC3=C)[C@@H](C(O)=O)[C@@]1([H])[C@]2(CC[C@H](O)[C@@]1(C)C(O)=O)C(O)=O InChI=1S/C20H26O8/c1-8-6-19-7-9(8)10(21)5-11(19)20(17(27)28)4-3-12(22)18(2,16(25)26)14(20)13(19)15(23)24/h9-14,21-22H,1,3-7H2,2H3,(H,23,24)(H,25,26)(H,27,28)/t9-,10+,11-,12+,13-,14-,18-,19+,20-/m1/s1 |
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Synonyms | Value | Source |
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GA39 | HMDB | Gibberellin A39 | HMDB |
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Chemical Formula | C20H26O8 |
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Average Molecular Weight | 394.42 |
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Monoisotopic Molecular Weight | 394.162767797 |
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IUPAC Name | (1R,2S,3S,4S,5S,8R,9R,11S,12R)-5,11-dihydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.0^{1,9}.0^{3,8}]pentadecane-2,4,8-tricarboxylic acid |
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Traditional Name | (1R,2S,3S,4S,5S,8R,9R,11S,12R)-5,11-dihydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.0^{1,9}.0^{3,8}]pentadecane-2,4,8-tricarboxylic acid |
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CAS Registry Number | 57672-81-8 |
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SMILES | [H][C@@]12C[C@H](O)[C@@H]3C[C@]1(CC3=C)[C@@H](C(O)=O)[C@@]1([H])[C@]2(CC[C@H](O)[C@@]1(C)C(O)=O)C(O)=O |
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InChI Identifier | InChI=1S/C20H26O8/c1-8-6-19-7-9(8)10(21)5-11(19)20(17(27)28)4-3-12(22)18(2,16(25)26)14(20)13(19)15(23)24/h9-14,21-22H,1,3-7H2,2H3,(H,23,24)(H,25,26)(H,27,28)/t9-,10+,11-,12+,13-,14-,18-,19+,20-/m1/s1 |
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InChI Key | LKLDZCIWUDJQCF-OZPHONOWSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as c20-gibberellin 20-carboxylic acids. These are c20-gibberellins with a carboxyl group at the 6-position. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Prenol lipids |
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Sub Class | Diterpenoids |
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Direct Parent | C20-gibberellin 20-carboxylic acids |
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Alternative Parents | |
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Substituents | - Gibberellane-20-carboxylic acid
- Gibberellane-6-carboxylic acid
- Tricarboxylic acid or derivatives
- Beta-hydroxy acid
- Hydroxy acid
- Cyclic alcohol
- Secondary alcohol
- Carboxylic acid derivative
- Carboxylic acid
- Organic oxide
- Alcohol
- Carbonyl group
- Organic oxygen compound
- Hydrocarbon derivative
- Organooxygen compound
- Aliphatic homopolycyclic compound
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Molecular Framework | Aliphatic homopolycyclic compounds |
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External Descriptors | Not Available |
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Ontology |
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Physiological effect | Not Available |
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Disposition | |
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Process | |
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Role | |
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Physical Properties |
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State | Solid |
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Experimental Molecular Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | |
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatizedDerivatizedDerivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
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Gibberellin A39,1TMS,isomer #1 | C=C1C[C@]23C[C@H]1[C@@H](O[Si](C)(C)C)C[C@H]2[C@]1(C(=O)O)CC[C@H](O)[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O | 2985.9 | Semi standard non polar | 33892256 | Gibberellin A39,1TMS,isomer #2 | C=C1C[C@]23C[C@H]1[C@@H](O)C[C@H]2[C@]1(C(=O)O)CC[C@H](O)[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O[Si](C)(C)C | 2998.4 | Semi standard non polar | 33892256 | Gibberellin A39,1TMS,isomer #3 | C=C1C[C@]23C[C@H]1[C@@H](O)C[C@H]2[C@]1(C(=O)O)CC[C@H](O[Si](C)(C)C)[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O | 3011.7 | Semi standard non polar | 33892256 | Gibberellin A39,1TMS,isomer #4 | C=C1C[C@]23C[C@H]1[C@@H](O)C[C@H]2[C@]1(C(=O)O)CC[C@H](O)[C@@](C)(C(=O)O[Si](C)(C)C)[C@H]1[C@@H]3C(=O)O | 3024.9 | Semi standard non polar | 33892256 | Gibberellin A39,1TMS,isomer #5 | C=C1C[C@]23C[C@H]1[C@@H](O)C[C@H]2[C@]1(C(=O)O[Si](C)(C)C)CC[C@H](O)[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O | 3008.4 | Semi standard non polar | 33892256 | Gibberellin A39,2TMS,isomer #1 | C=C1C[C@]23C[C@H]1[C@@H](O[Si](C)(C)C)C[C@H]2[C@]1(C(=O)O[Si](C)(C)C)CC[C@H](O)[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O | 2949.6 | Semi standard non polar | 33892256 | Gibberellin A39,2TMS,isomer #10 | C=C1C[C@]23C[C@H]1[C@@H](O)C[C@H]2[C@]1(C(=O)O[Si](C)(C)C)CC[C@H](O)[C@@](C)(C(=O)O[Si](C)(C)C)[C@H]1[C@@H]3C(=O)O | 3003.3 | Semi standard non polar | 33892256 | Gibberellin A39,2TMS,isomer #2 | C=C1C[C@]23C[C@H]1[C@@H](O[Si](C)(C)C)C[C@H]2[C@]1(C(=O)O)CC[C@H](O[Si](C)(C)C)[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O | 2921.9 | Semi standard non polar | 33892256 | Gibberellin A39,2TMS,isomer #3 | C=C1C[C@]23C[C@H]1[C@@H](O[Si](C)(C)C)C[C@H]2[C@]1(C(=O)O)CC[C@H](O)[C@@](C)(C(=O)O[Si](C)(C)C)[C@H]1[C@@H]3C(=O)O | 2941.4 | Semi standard non polar | 33892256 | Gibberellin A39,2TMS,isomer #4 | C=C1C[C@]23C[C@H]1[C@@H](O[Si](C)(C)C)C[C@H]2[C@]1(C(=O)O)CC[C@H](O)[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O[Si](C)(C)C | 2937.3 | Semi standard non polar | 33892256 | Gibberellin A39,2TMS,isomer #5 | C=C1C[C@]23C[C@H]1[C@@H](O)C[C@H]2[C@]1(C(=O)O[Si](C)(C)C)CC[C@H](O)[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O[Si](C)(C)C | 2982.8 | Semi standard non polar | 33892256 | Gibberellin A39,2TMS,isomer #6 | C=C1C[C@]23C[C@H]1[C@@H](O)C[C@H]2[C@]1(C(=O)O)CC[C@H](O[Si](C)(C)C)[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O[Si](C)(C)C | 2967.7 | Semi standard non polar | 33892256 | Gibberellin A39,2TMS,isomer #7 | C=C1C[C@]23C[C@H]1[C@@H](O)C[C@H]2[C@]1(C(=O)O)CC[C@H](O)[C@@](C)(C(=O)O[Si](C)(C)C)[C@H]1[C@@H]3C(=O)O[Si](C)(C)C | 3003.5 | Semi standard non polar | 33892256 | Gibberellin A39,2TMS,isomer #8 | C=C1C[C@]23C[C@H]1[C@@H](O)C[C@H]2[C@]1(C(=O)O[Si](C)(C)C)CC[C@H](O[Si](C)(C)C)[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O | 2968.8 | Semi standard non polar | 33892256 | Gibberellin A39,2TMS,isomer #9 | C=C1C[C@]23C[C@H]1[C@@H](O)C[C@H]2[C@]1(C(=O)O)CC[C@H](O[Si](C)(C)C)[C@@](C)(C(=O)O[Si](C)(C)C)[C@H]1[C@@H]3C(=O)O | 2981.2 | Semi standard non polar | 33892256 | Gibberellin A39,3TMS,isomer #1 | C=C1C[C@]23C[C@H]1[C@@H](O[Si](C)(C)C)C[C@H]2[C@]1(C(=O)O[Si](C)(C)C)CC[C@H](O[Si](C)(C)C)[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O | 2938.4 | Semi standard non polar | 33892256 | Gibberellin A39,3TMS,isomer #10 | C=C1C[C@]23C[C@H]1[C@@H](O)C[C@H]2[C@]1(C(=O)O[Si](C)(C)C)CC[C@H](O[Si](C)(C)C)[C@@](C)(C(=O)O[Si](C)(C)C)[C@H]1[C@@H]3C(=O)O | 2971.0 | Semi standard non polar | 33892256 | Gibberellin A39,3TMS,isomer #2 | C=C1C[C@]23C[C@H]1[C@@H](O[Si](C)(C)C)C[C@H]2[C@]1(C(=O)O[Si](C)(C)C)CC[C@H](O)[C@@](C)(C(=O)O[Si](C)(C)C)[C@H]1[C@@H]3C(=O)O | 2964.1 | Semi standard non polar | 33892256 | Gibberellin A39,3TMS,isomer #3 | C=C1C[C@]23C[C@H]1[C@@H](O[Si](C)(C)C)C[C@H]2[C@]1(C(=O)O[Si](C)(C)C)CC[C@H](O)[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O[Si](C)(C)C | 2959.2 | Semi standard non polar | 33892256 | Gibberellin A39,3TMS,isomer #4 | C=C1C[C@]23C[C@H]1[C@@H](O[Si](C)(C)C)C[C@H]2[C@]1(C(=O)O)CC[C@H](O[Si](C)(C)C)[C@@](C)(C(=O)O[Si](C)(C)C)[C@H]1[C@@H]3C(=O)O | 2929.3 | Semi standard non polar | 33892256 | Gibberellin A39,3TMS,isomer #5 | C=C1C[C@]23C[C@H]1[C@@H](O[Si](C)(C)C)C[C@H]2[C@]1(C(=O)O)CC[C@H](O[Si](C)(C)C)[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O[Si](C)(C)C | 2925.2 | Semi standard non polar | 33892256 | Gibberellin A39,3TMS,isomer #6 | C=C1C[C@]23C[C@H]1[C@@H](O[Si](C)(C)C)C[C@H]2[C@]1(C(=O)O)CC[C@H](O)[C@@](C)(C(=O)O[Si](C)(C)C)[C@H]1[C@@H]3C(=O)O[Si](C)(C)C | 2957.1 | Semi standard non polar | 33892256 | Gibberellin A39,3TMS,isomer #7 | C=C1C[C@]23C[C@H]1[C@@H](O)C[C@H]2[C@]1(C(=O)O[Si](C)(C)C)CC[C@H](O[Si](C)(C)C)[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O[Si](C)(C)C | 2959.2 | Semi standard non polar | 33892256 | Gibberellin A39,3TMS,isomer #8 | C=C1C[C@]23C[C@H]1[C@@H](O)C[C@H]2[C@]1(C(=O)O[Si](C)(C)C)CC[C@H](O)[C@@](C)(C(=O)O[Si](C)(C)C)[C@H]1[C@@H]3C(=O)O[Si](C)(C)C | 2991.9 | Semi standard non polar | 33892256 | Gibberellin A39,3TMS,isomer #9 | C=C1C[C@]23C[C@H]1[C@@H](O)C[C@H]2[C@]1(C(=O)O)CC[C@H](O[Si](C)(C)C)[C@@](C)(C(=O)O[Si](C)(C)C)[C@H]1[C@@H]3C(=O)O[Si](C)(C)C | 2976.0 | Semi standard non polar | 33892256 | Gibberellin A39,4TMS,isomer #1 | C=C1C[C@]23C[C@H]1[C@@H](O[Si](C)(C)C)C[C@H]2[C@]1(C(=O)O[Si](C)(C)C)CC[C@H](O[Si](C)(C)C)[C@@](C)(C(=O)O[Si](C)(C)C)[C@H]1[C@@H]3C(=O)O | 2961.9 | Semi standard non polar | 33892256 | Gibberellin A39,4TMS,isomer #2 | C=C1C[C@]23C[C@H]1[C@@H](O[Si](C)(C)C)C[C@H]2[C@]1(C(=O)O[Si](C)(C)C)CC[C@H](O[Si](C)(C)C)[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O[Si](C)(C)C | 2954.1 | Semi standard non polar | 33892256 | Gibberellin A39,4TMS,isomer #3 | C=C1C[C@]23C[C@H]1[C@@H](O[Si](C)(C)C)C[C@H]2[C@]1(C(=O)O[Si](C)(C)C)CC[C@H](O)[C@@](C)(C(=O)O[Si](C)(C)C)[C@H]1[C@@H]3C(=O)O[Si](C)(C)C | 2969.7 | Semi standard non polar | 33892256 | Gibberellin A39,4TMS,isomer #4 | C=C1C[C@]23C[C@H]1[C@@H](O[Si](C)(C)C)C[C@H]2[C@]1(C(=O)O)CC[C@H](O[Si](C)(C)C)[C@@](C)(C(=O)O[Si](C)(C)C)[C@H]1[C@@H]3C(=O)O[Si](C)(C)C | 2953.5 | Semi standard non polar | 33892256 | Gibberellin A39,4TMS,isomer #5 | C=C1C[C@]23C[C@H]1[C@@H](O)C[C@H]2[C@]1(C(=O)O[Si](C)(C)C)CC[C@H](O[Si](C)(C)C)[C@@](C)(C(=O)O[Si](C)(C)C)[C@H]1[C@@H]3C(=O)O[Si](C)(C)C | 3011.4 | Semi standard non polar | 33892256 | Gibberellin A39,5TMS,isomer #1 | C=C1C[C@]23C[C@H]1[C@@H](O[Si](C)(C)C)C[C@H]2[C@]1(C(=O)O[Si](C)(C)C)CC[C@H](O[Si](C)(C)C)[C@@](C)(C(=O)O[Si](C)(C)C)[C@H]1[C@@H]3C(=O)O[Si](C)(C)C | 3009.5 | Semi standard non polar | 33892256 | Gibberellin A39,1TBDMS,isomer #1 | C=C1C[C@]23C[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]2[C@]1(C(=O)O)CC[C@H](O)[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O | 3207.1 | Semi standard non polar | 33892256 | Gibberellin A39,1TBDMS,isomer #2 | C=C1C[C@]23C[C@H]1[C@@H](O)C[C@H]2[C@]1(C(=O)O)CC[C@H](O)[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O[Si](C)(C)C(C)(C)C | 3240.2 | Semi standard non polar | 33892256 | Gibberellin A39,1TBDMS,isomer #3 | C=C1C[C@]23C[C@H]1[C@@H](O)C[C@H]2[C@]1(C(=O)O)CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O | 3232.1 | Semi standard non polar | 33892256 | Gibberellin A39,1TBDMS,isomer #4 | C=C1C[C@]23C[C@H]1[C@@H](O)C[C@H]2[C@]1(C(=O)O)CC[C@H](O)[C@@](C)(C(=O)O[Si](C)(C)C(C)(C)C)[C@H]1[C@@H]3C(=O)O | 3269.0 | Semi standard non polar | 33892256 | Gibberellin A39,1TBDMS,isomer #5 | C=C1C[C@]23C[C@H]1[C@@H](O)C[C@H]2[C@]1(C(=O)O[Si](C)(C)C(C)(C)C)CC[C@H](O)[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O | 3255.0 | Semi standard non polar | 33892256 | Gibberellin A39,2TBDMS,isomer #1 | C=C1C[C@]23C[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]2[C@]1(C(=O)O[Si](C)(C)C(C)(C)C)CC[C@H](O)[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O | 3422.3 | Semi standard non polar | 33892256 | Gibberellin A39,2TBDMS,isomer #10 | C=C1C[C@]23C[C@H]1[C@@H](O)C[C@H]2[C@]1(C(=O)O[Si](C)(C)C(C)(C)C)CC[C@H](O)[C@@](C)(C(=O)O[Si](C)(C)C(C)(C)C)[C@H]1[C@@H]3C(=O)O | 3479.3 | Semi standard non polar | 33892256 | Gibberellin A39,2TBDMS,isomer #2 | C=C1C[C@]23C[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]2[C@]1(C(=O)O)CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O | 3370.5 | Semi standard non polar | 33892256 | Gibberellin A39,2TBDMS,isomer #3 | C=C1C[C@]23C[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]2[C@]1(C(=O)O)CC[C@H](O)[C@@](C)(C(=O)O[Si](C)(C)C(C)(C)C)[C@H]1[C@@H]3C(=O)O | 3405.9 | Semi standard non polar | 33892256 | Gibberellin A39,2TBDMS,isomer #4 | C=C1C[C@]23C[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]2[C@]1(C(=O)O)CC[C@H](O)[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O[Si](C)(C)C(C)(C)C | 3387.3 | Semi standard non polar | 33892256 | Gibberellin A39,2TBDMS,isomer #5 | C=C1C[C@]23C[C@H]1[C@@H](O)C[C@H]2[C@]1(C(=O)O[Si](C)(C)C(C)(C)C)CC[C@H](O)[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O[Si](C)(C)C(C)(C)C | 3457.8 | Semi standard non polar | 33892256 | Gibberellin A39,2TBDMS,isomer #6 | C=C1C[C@]23C[C@H]1[C@@H](O)C[C@H]2[C@]1(C(=O)O)CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O[Si](C)(C)C(C)(C)C | 3424.4 | Semi standard non polar | 33892256 | Gibberellin A39,2TBDMS,isomer #7 | C=C1C[C@]23C[C@H]1[C@@H](O)C[C@H]2[C@]1(C(=O)O)CC[C@H](O)[C@@](C)(C(=O)O[Si](C)(C)C(C)(C)C)[C@H]1[C@@H]3C(=O)O[Si](C)(C)C(C)(C)C | 3472.4 | Semi standard non polar | 33892256 | Gibberellin A39,2TBDMS,isomer #8 | C=C1C[C@]23C[C@H]1[C@@H](O)C[C@H]2[C@]1(C(=O)O[Si](C)(C)C(C)(C)C)CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O | 3431.1 | Semi standard non polar | 33892256 | Gibberellin A39,2TBDMS,isomer #9 | C=C1C[C@]23C[C@H]1[C@@H](O)C[C@H]2[C@]1(C(=O)O)CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(C(=O)O[Si](C)(C)C(C)(C)C)[C@H]1[C@@H]3C(=O)O | 3450.2 | Semi standard non polar | 33892256 | Gibberellin A39,3TBDMS,isomer #1 | C=C1C[C@]23C[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]2[C@]1(C(=O)O[Si](C)(C)C(C)(C)C)CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O | 3596.6 | Semi standard non polar | 33892256 | Gibberellin A39,3TBDMS,isomer #10 | C=C1C[C@]23C[C@H]1[C@@H](O)C[C@H]2[C@]1(C(=O)O[Si](C)(C)C(C)(C)C)CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(C(=O)O[Si](C)(C)C(C)(C)C)[C@H]1[C@@H]3C(=O)O | 3635.8 | Semi standard non polar | 33892256 | Gibberellin A39,3TBDMS,isomer #2 | C=C1C[C@]23C[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]2[C@]1(C(=O)O[Si](C)(C)C(C)(C)C)CC[C@H](O)[C@@](C)(C(=O)O[Si](C)(C)C(C)(C)C)[C@H]1[C@@H]3C(=O)O | 3621.6 | Semi standard non polar | 33892256 | Gibberellin A39,3TBDMS,isomer #3 | C=C1C[C@]23C[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]2[C@]1(C(=O)O[Si](C)(C)C(C)(C)C)CC[C@H](O)[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O[Si](C)(C)C(C)(C)C | 3605.2 | Semi standard non polar | 33892256 | Gibberellin A39,3TBDMS,isomer #4 | C=C1C[C@]23C[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]2[C@]1(C(=O)O)CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(C(=O)O[Si](C)(C)C(C)(C)C)[C@H]1[C@@H]3C(=O)O | 3594.8 | Semi standard non polar | 33892256 | Gibberellin A39,3TBDMS,isomer #5 | C=C1C[C@]23C[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]2[C@]1(C(=O)O)CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O[Si](C)(C)C(C)(C)C | 3581.5 | Semi standard non polar | 33892256 | Gibberellin A39,3TBDMS,isomer #6 | C=C1C[C@]23C[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]2[C@]1(C(=O)O)CC[C@H](O)[C@@](C)(C(=O)O[Si](C)(C)C(C)(C)C)[C@H]1[C@@H]3C(=O)O[Si](C)(C)C(C)(C)C | 3601.1 | Semi standard non polar | 33892256 | Gibberellin A39,3TBDMS,isomer #7 | C=C1C[C@]23C[C@H]1[C@@H](O)C[C@H]2[C@]1(C(=O)O[Si](C)(C)C(C)(C)C)CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O[Si](C)(C)C(C)(C)C | 3615.0 | Semi standard non polar | 33892256 | Gibberellin A39,3TBDMS,isomer #8 | C=C1C[C@]23C[C@H]1[C@@H](O)C[C@H]2[C@]1(C(=O)O[Si](C)(C)C(C)(C)C)CC[C@H](O)[C@@](C)(C(=O)O[Si](C)(C)C(C)(C)C)[C@H]1[C@@H]3C(=O)O[Si](C)(C)C(C)(C)C | 3647.6 | Semi standard non polar | 33892256 | Gibberellin A39,3TBDMS,isomer #9 | C=C1C[C@]23C[C@H]1[C@@H](O)C[C@H]2[C@]1(C(=O)O)CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(C(=O)O[Si](C)(C)C(C)(C)C)[C@H]1[C@@H]3C(=O)O[Si](C)(C)C(C)(C)C | 3645.7 | Semi standard non polar | 33892256 | Gibberellin A39,4TBDMS,isomer #1 | C=C1C[C@]23C[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]2[C@]1(C(=O)O[Si](C)(C)C(C)(C)C)CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(C(=O)O[Si](C)(C)C(C)(C)C)[C@H]1[C@@H]3C(=O)O | 3790.9 | Semi standard non polar | 33892256 | Gibberellin A39,4TBDMS,isomer #2 | C=C1C[C@]23C[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]2[C@]1(C(=O)O[Si](C)(C)C(C)(C)C)CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O[Si](C)(C)C(C)(C)C | 3786.4 | Semi standard non polar | 33892256 | Gibberellin A39,4TBDMS,isomer #3 | C=C1C[C@]23C[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]2[C@]1(C(=O)O[Si](C)(C)C(C)(C)C)CC[C@H](O)[C@@](C)(C(=O)O[Si](C)(C)C(C)(C)C)[C@H]1[C@@H]3C(=O)O[Si](C)(C)C(C)(C)C | 3799.0 | Semi standard non polar | 33892256 | Gibberellin A39,4TBDMS,isomer #4 | C=C1C[C@]23C[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]2[C@]1(C(=O)O)CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(C(=O)O[Si](C)(C)C(C)(C)C)[C@H]1[C@@H]3C(=O)O[Si](C)(C)C(C)(C)C | 3792.9 | Semi standard non polar | 33892256 | Gibberellin A39,4TBDMS,isomer #5 | C=C1C[C@]23C[C@H]1[C@@H](O)C[C@H]2[C@]1(C(=O)O[Si](C)(C)C(C)(C)C)CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(C(=O)O[Si](C)(C)C(C)(C)C)[C@H]1[C@@H]3C(=O)O[Si](C)(C)C(C)(C)C | 3825.8 | Semi standard non polar | 33892256 |
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| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted GC-MS | Predicted GC-MS Spectrum - Gibberellin A39 GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum |
MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Gibberellin A39 10V, Positive-QTOF | splash10-0002-0009000000-12b07aa1e05a2e79015a | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Gibberellin A39 20V, Positive-QTOF | splash10-053s-0009000000-dcfaca43c21b4e97174b | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Gibberellin A39 40V, Positive-QTOF | splash10-00pi-0209000000-04702f0be355c890a6c4 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Gibberellin A39 10V, Negative-QTOF | splash10-0f89-0009000000-8dd62f1962e205992038 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Gibberellin A39 20V, Negative-QTOF | splash10-0zfr-0009000000-13e5435e49018d4e263c | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Gibberellin A39 40V, Negative-QTOF | splash10-0f6x-4619000000-62c6a0f80c226b9f0b8f | 2021-09-24 | Wishart Lab | View Spectrum |
NMR SpectraSpectrum Type | Description | Deposition Date | Source | View |
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Predicted 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum |
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