Androst-5-ene-3beta,16alpha-diol
Basic information
- CAS
3642-89-5- Standard SMILES
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C[C@@H](O)C2- InChIKey
CVCDJRPXEWJAAY-UVSUZTNJSA-N- Molecular formula
- C19H30O2
- Average molar mass
- 290.4 g/mol
- Monoisotopic mass
- 290.2245802
Overview
5-Androstene-3beta,16alpha-diol is a 3-hydroxy steroid. It has a role as an androgen.
Names & identifiers
- Preferred name
- Androst-5-ene-3beta,16alpha-diol
- IUPAC
- (3S,8S,9S,10R,13R,14S,16R)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol
- English name
- 5-Androsten-3beta,16alpha-diol
- Molecular formula
- C19H30O2
- Molecular weight
- 290.44
Names & synonyms
Cetadiol3642-89-5Androst-5-ene-3beta,16alpha-diolANDROST-5-ENE-3-beta,16-alpha-DIOL5XQV9LZ9J8DTXSID40957766NSC-49622RefChem:1076981DTXCID8017675445-Androstene-3beta,16alpha-diolandrost-5-en-3beta,16alpha-diolAndrost-5-ene-3,16-diol, (3beta,16alpha)-
Show more names
Cetadiol 3 Sulphate16α-Hydroxy Dhea 3-SulphateAndrost-5-ene-3,16-diol, (3β,16α)-16α-Hydroxydehydroepiandrosterone-3-SulfateAndrost-5-ene-3, 16-diol, (3.beta.,16.alpha.)-5-ANDROSTEN-3β, 16α-DIOL-17-ONE-3 SULPHATE, SODIUM SALT
5-Androsten-3beta,16alpha-diol5-Androstene-3-beta,16-alpha-diolNSC 49622BRN 32088533-beta,16-alpha-Dihydroxy-5-androstenedelta(sup 5)-Androstene-3-beta,16-alpha-diol4-06-00-06394 (Beilstein Handbook Reference)CHEBI:34452
Database identifiers
- CAS
3642-89-5- PubChem CID
- 19274
- DTXSID
DTXSID40957766- ChEBI
CHEBI:34452- UNII
- 5XQV9LZ9J8
- Nikkaji
- J61.643E
Properties
Computed structural properties
- XLogP
- 3.7
- 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
- 470
Experimental & physicochemical properties
LipidsLipids -> Sterol Lipids [ST] -> Steroids [ST02] -> C19 steroids (androgens) and derivatives [ST0202]
Chemistry & industry
Additional notes
DefinitionChEBI: 5-Androstene-3beta,16alpha-diol is a 3-hydroxy steroid. It has a role as an androgen.
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