5beta-Androstane-3beta,17alpha-diol
Basic information
- CAS
19767-69-2- Standard SMILES
C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](O)CC[C@@H]12- InChIKey
CBMYJHIOYJEBSB-YISWTCPOSA-N- Molecular formula
- C19H32O2
- Average molar mass
- 292.5 g/mol
Names & identifiers
- Preferred name
- 5beta-Androstane-3beta,17alpha-diol
- IUPAC
- (3S,5R,8R,9S,10S,13S,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
- English name
- 5β-Androstane-3α,17β-diol
- Molecular formula
- C19H32O2
- Molecular weight
- 292.46
Names & synonyms
5beta-androstane-3beta,17alpha-diol19767-69-2(1R,3aS,3bR,5aR,7S,9aS,9bS,11aS)-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-1,7-diol5?-ANDROSTANE-3?,17?-DIOLSCHEMBL6450951DTXSID104319025beta-androstan-3beta,17alpha-diol5alpha-ANDROSTAN-3beta, 17alpha-DIOLEtiocholan-3β,17α-Diol5β-Androstane-3β,17α-diol5β-Androstane-3α,17β-diol5β-ANDROSTAN-3β, 17α-DIOL
Show more names
Androstane-3,17-diol, (3β,5β,17α)-
Database identifiers
- CAS
19767-69-2- Nikkaji
- J2.147.355C
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 422
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 415 · 415.0±18.0 °C(Predicted)
- Density
- 1.09 · 1.090±0.06 g/cm3(Predicted)
- solubility
- DMSO (Slightly), Methanol (Slightly)
- pka
- 15.07 · 15.07±0.70(Predicted)
- form
- Solid
- color
- White to Off-White
Chemistry & industry
Applications
Uses5β-Androstane-3β,17α-diol is a metabolite of Testosterone (T155000), an androgenic hormone synthesized in the body that is primarily responsible for spermatogenesis (in males) and appearance of male characteristics in humans.
Additional notes
DefinitionChEBI: 5beta-androstane-3alpha,17beta-diol is an androstane-3alpha,17beta-diol.
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Compound notes
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