Record Information |
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Version | 5.0 |
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Status | Detected but not Quantified |
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Creation Date | 2022-09-09 20:09:24 UTC |
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Update Date | 2022-09-22 18:34:45 UTC |
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HMDB ID | HMDB0341281 |
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Secondary Accession Numbers | None |
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Metabolite Identification |
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Common Name | 6beta-Hydroxyfluoxymesterone |
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Description | 6beta-Hydroxyfluoxymesterone belongs to the class of organic compounds known as androgens and derivatives. These are 3-hydroxylated C19 steroid hormones. They are known to favor the development of masculine characteristics. They also show profound effects on scalp and body hair in humans. Based on a literature review very few articles have been published on 6beta-Hydroxyfluoxymesterone. |
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Structure | [H][C@@]12CC[C@](C)(O)[C@@]1(C)C[C@]([H])(O)[C@@]1(F)[C@@]2([H])C[C@@]([H])(O)C2=CC(=O)CC[C@]12C InChI=1S/C20H29FO4/c1-17-6-4-11(22)8-14(17)15(23)9-13-12-5-7-19(3,25)18(12,2)10-16(24)20(13,17)21/h8,12-13,15-16,23-25H,4-7,9-10H2,1-3H3/t12-,13-,15+,16-,17-,18-,19-,20-/m0/s1 |
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Synonyms | Value | Source |
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6b-Hydroxyfluoxymesterone | Generator | 6Β-hydroxyfluoxymesterone | Generator |
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Chemical Formula | C20H29FO4 |
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Average Molecular Weight | 352.446 |
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Monoisotopic Molecular Weight | 352.204987577 |
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IUPAC Name | (1R,2S,8R,10S,11S,14S,15S,17S)-1-fluoro-8,14,17-trihydroxy-2,14,15-trimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one |
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Traditional Name | (1R,2S,8R,10S,11S,14S,15S,17S)-1-fluoro-8,14,17-trihydroxy-2,14,15-trimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one |
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CAS Registry Number | Not Available |
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SMILES | [H][C@@]12CC[C@](C)(O)[C@@]1(C)C[C@]([H])(O)[C@@]1(F)[C@@]2([H])C[C@@]([H])(O)C2=CC(=O)CC[C@]12C |
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InChI Identifier | InChI=1S/C20H29FO4/c1-17-6-4-11(22)8-14(17)15(23)9-13-12-5-7-19(3,25)18(12,2)10-16(24)20(13,17)21/h8,12-13,15-16,23-25H,4-7,9-10H2,1-3H3/t12-,13-,15+,16-,17-,18-,19-,20-/m0/s1 |
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InChI Key | SAMKMXPGYNTUIZ-SIZAIIQISA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as androgens and derivatives. These are 3-hydroxylated C19 steroid hormones. They are known to favor the development of masculine characteristics. They also show profound effects on scalp and body hair in humans. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Steroids and steroid derivatives |
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Sub Class | Androstane steroids |
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Direct Parent | Androgens and derivatives |
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Alternative Parents | |
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Substituents | - Androgen-skeleton
- 17-hydroxysteroid
- 11-hydroxysteroid
- 11-beta-hydroxysteroid
- Oxosteroid
- Hydroxysteroid
- 6-hydroxysteroid
- Halo-steroid
- 9-halo-steroid
- 3-oxosteroid
- 3-oxo-delta-4-steroid
- Delta-4-steroid
- Cyclohexenone
- Tertiary alcohol
- Cyclic alcohol
- Cyclic ketone
- Secondary alcohol
- Ketone
- Halohydrin
- Fluorohydrin
- Polyol
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Organofluoride
- Organohalogen compound
- Carbonyl group
- Alkyl halide
- Alkyl fluoride
- 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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Not Available | Not Available |
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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 Kovats Retention IndicesNot Available |
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