| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 22:31:33 UTC |
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| Update Date | 2020-04-21 18:14:43 UTC |
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| BMDB ID | BMDB0000493 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | 5a-Androstane-3b,17b-diol |
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| Description | 5alpha-Androstane-3beta,17beta-diol, also known as 5-α-androstane-3-β,17β-diol or 3beta,17beta-dihydroxy-5alpha-androstane, 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. Thus, 5alpha-androstane-3beta,17beta-diol is considered to be a steroid. Based on a literature review a significant number of articles have been published on 5alpha-Androstane-3beta,17beta-diol. |
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| Structure | |
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| Synonyms | | Value | Source |
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| (3beta,5alpha,17beta)-Androstane-3,17-diol | ChEBI | | 3beta,17beta-Dihydroxy-5alpha-androstane | ChEBI | | 5-ALPHA-ANDROSTANE-3-BETA,17BETA-diol | ChEBI | | 5alpha-Androstan-3beta,17beta-diol | ChEBI | | (3b,5a,17b)-Androstane-3,17-diol | Generator | | (3Β,5α,17β)-androstane-3,17-diol | Generator | | 3b,17b-Dihydroxy-5a-androstane | Generator | | 3Β,17β-dihydroxy-5α-androstane | Generator | | 5-a-ANDROSTANE-3-b,17b-diol | Generator | | 5-Α-androstane-3-β,17β-diol | Generator | | 5a-Androstan-3b,17b-diol | Generator | | 5Α-androstan-3β,17β-diol | Generator | | 5a-Androstane-3b,17b-diol | Generator | | 5Α-androstane-3β,17β-diol | Generator | | 3b,17b-Androstanediol | HMDB | | 3b-Androstanediol | HMDB | | 3Β-androstanediol | HMDB | | 5alpha-Androstane-3beta,17beta-diol | HMDB |
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| Chemical Formula | C19H32O2 |
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| Average Molecular Weight | 292.4562 |
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| Monoisotopic Molecular Weight | 292.240230268 |
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| IUPAC Name | (1S,2S,5S,7S,10R,11S,14S,15S)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecane-5,14-diol |
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| Traditional Name | (1S,2S,5S,7S,10R,11S,14S,15S)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecane-5,14-diol |
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| CAS Registry Number | 571-20-0 |
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| SMILES | [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](O)CC[C@]12C |
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| InChI Identifier | InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12-,13-,14-,15-,16-,17-,18-,19-/m0/s1 |
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| InChI Key | CBMYJHIOYJEBSB-YSZCXEEOSA-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
- 3-beta-hydroxysteroid
- Hydroxysteroid
- 3-hydroxysteroid
- Cyclic alcohol
- Secondary alcohol
- Organic oxygen compound
- Hydrocarbon derivative
- Organooxygen compound
- Alcohol
- Aliphatic homopolycyclic compound
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| Molecular Framework | Aliphatic homopolycyclic compounds |
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| External Descriptors | |
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| Ontology |
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| Status | Expected but not Quantified |
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| Origin | Not Available |
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| Biofunction | Not Available |
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| Application | Not Available |
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| Cellular locations | - Cell membrane
- Cytoplasm
- Membrane
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| Physical Properties |
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| State | Solid |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | 3 mg/mL | Not Available | | LogP | Not Available | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | |
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