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 20:12:50 UTC |
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Update Date | 2022-03-07 02:54:26 UTC |
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HMDB ID | HMDB0035260 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | delta-Maslinic acid |
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Description | delta-Maslinic acid, also known as delta-maslinate or δ-maslinate, belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Based on a literature review a significant number of articles have been published on delta-Maslinic acid. |
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Structure | CC1(C)CCC2(CCC3(C)C(CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC34C)=C2C1)C(O)=O InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h20-23,31-32H,8-17H2,1-7H3,(H,33,34) |
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Synonyms | Value | Source |
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delta-Maslinate | Generator | Δ-maslinate | Generator | Δ-maslinic acid | Generator | D-Maslinic acid | HMDB | 10,11-Dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14-icosahydropicene-4a-carboxylate | Generator |
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Chemical Formula | C30H48O4 |
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Average Molecular Weight | 472.6997 |
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Monoisotopic Molecular Weight | 472.355260024 |
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IUPAC Name | 10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14-icosahydropicene-4a-carboxylic acid |
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Traditional Name | 10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14-tetradecahydropicene-4a-carboxylic acid |
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CAS Registry Number | Not Available |
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SMILES | CC1(C)CCC2(CCC3(C)C(CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC34C)=C2C1)C(O)=O |
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InChI Identifier | InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h20-23,31-32H,8-17H2,1-7H3,(H,33,34) |
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InChI Key | HJMFZRRKMVZJCX-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. |
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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 | Triterpenoids |
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Direct Parent | Triterpenoids |
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Alternative Parents | |
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Substituents | - Triterpenoid
- Cyclic alcohol
- Secondary alcohol
- 1,2-diol
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Alcohol
- 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 | Not Available |
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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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delta-Maslinic acid,1TMS,isomer #1 | CC1(C)CCC2(C(=O)O)CCC3(C)C(=C2C1)CCC1C2(C)CC(O[Si](C)(C)C)C(O)C(C)(C)C2CCC13C | 3902.2 | Semi standard non polar | 33892256 | delta-Maslinic acid,1TMS,isomer #2 | CC1(C)CCC2(C(=O)O)CCC3(C)C(=C2C1)CCC1C2(C)CC(O)C(O[Si](C)(C)C)C(C)(C)C2CCC13C | 3901.4 | Semi standard non polar | 33892256 | delta-Maslinic acid,1TMS,isomer #3 | CC1(C)CCC2(C(=O)O[Si](C)(C)C)CCC3(C)C(=C2C1)CCC1C2(C)CC(O)C(O)C(C)(C)C2CCC13C | 3836.2 | Semi standard non polar | 33892256 | delta-Maslinic acid,2TMS,isomer #1 | CC1(C)CCC2(C(=O)O[Si](C)(C)C)CCC3(C)C(=C2C1)CCC1C2(C)CC(O[Si](C)(C)C)C(O)C(C)(C)C2CCC13C | 3745.9 | Semi standard non polar | 33892256 | delta-Maslinic acid,2TMS,isomer #2 | CC1(C)CCC2(C(=O)O)CCC3(C)C(=C2C1)CCC1C2(C)CC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(C)(C)C2CCC13C | 3868.5 | Semi standard non polar | 33892256 | delta-Maslinic acid,2TMS,isomer #3 | CC1(C)CCC2(C(=O)O[Si](C)(C)C)CCC3(C)C(=C2C1)CCC1C2(C)CC(O)C(O[Si](C)(C)C)C(C)(C)C2CCC13C | 3736.0 | Semi standard non polar | 33892256 | delta-Maslinic acid,3TMS,isomer #1 | CC1(C)CCC2(C(=O)O[Si](C)(C)C)CCC3(C)C(=C2C1)CCC1C2(C)CC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(C)(C)C2CCC13C | 3706.9 | Semi standard non polar | 33892256 | delta-Maslinic acid,1TBDMS,isomer #1 | CC1(C)CCC2(C(=O)O)CCC3(C)C(=C2C1)CCC1C2(C)CC(O[Si](C)(C)C(C)(C)C)C(O)C(C)(C)C2CCC13C | 4117.1 | Semi standard non polar | 33892256 | delta-Maslinic acid,1TBDMS,isomer #2 | CC1(C)CCC2(C(=O)O)CCC3(C)C(=C2C1)CCC1C2(C)CC(O)C(O[Si](C)(C)C(C)(C)C)C(C)(C)C2CCC13C | 4109.7 | Semi standard non polar | 33892256 | delta-Maslinic acid,1TBDMS,isomer #3 | CC1(C)CCC2(C(=O)O[Si](C)(C)C(C)(C)C)CCC3(C)C(=C2C1)CCC1C2(C)CC(O)C(O)C(C)(C)C2CCC13C | 4077.7 | Semi standard non polar | 33892256 | delta-Maslinic acid,2TBDMS,isomer #1 | CC1(C)CCC2(C(=O)O[Si](C)(C)C(C)(C)C)CCC3(C)C(=C2C1)CCC1C2(C)CC(O[Si](C)(C)C(C)(C)C)C(O)C(C)(C)C2CCC13C | 4189.3 | Semi standard non polar | 33892256 | delta-Maslinic acid,2TBDMS,isomer #2 | CC1(C)CCC2(C(=O)O)CCC3(C)C(=C2C1)CCC1C2(C)CC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(C)(C)C2CCC13C | 4292.5 | Semi standard non polar | 33892256 | delta-Maslinic acid,2TBDMS,isomer #3 | CC1(C)CCC2(C(=O)O[Si](C)(C)C(C)(C)C)CCC3(C)C(=C2C1)CCC1C2(C)CC(O)C(O[Si](C)(C)C(C)(C)C)C(C)(C)C2CCC13C | 4183.0 | Semi standard non polar | 33892256 | delta-Maslinic acid,3TBDMS,isomer #1 | CC1(C)CCC2(C(=O)O[Si](C)(C)C(C)(C)C)CCC3(C)C(=C2C1)CCC1C2(C)CC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(C)(C)C2CCC13C | 4357.9 | Semi standard non polar | 33892256 |
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