5alpha-Androstan-17beta-ol
Basic information
- CAS
1225-43-0- Standard SMILES
C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12- InChIKey
QUKZBUCPOSYYFO-KYQPOWKGSA-N- Molecular formula
- C19H32O
- Average molar mass
- 276.5 g/mol
- Monoisotopic mass
- 276.24531564
Overview
5alpha-Androstan-17beta-ol is an androstanoid.
Names & identifiers
- Preferred name
- 5alpha-Androstan-17beta-ol
- IUPAC
- (5R,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-ol
- English name
- 17-beta-Hydroxy-5-alpha-androstane
- Molecular formula
- C19H32O
- Molecular weight
- 276.46
Names & synonyms
5alpha-Androstan-17beta-ol1225-43-05.alpha.-Androstan-17.beta.-olI5JL49BERKAndrostan-17-ol, (5alpha,17beta)-17.beta.-Hydroxy-5.alpha.-androstane17-beta-HYDROXY-5-alpha-ANDROSTANECHEMBL371356Androstan-17-ol, (5.alpha.,17.beta.)-(5R,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-olNSC-36058Androstan-17-ol #
Show more names
1874615α-Androstan-17β-ol5-A-androstan-17-B-ol5ALPHA-Androstan-17B-ol17β-Hydroxy-5α-androstaneAndrostan-17-ol, (5α,17β)-5-ALPHA-ANDROSTAN-17-BETA-OL
(5R,8R,9S,10S,13S,14S,17S)-10,13-Dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-olUNII-I5JL49BERK17beta-Hydroxy-5alpha-androstaneNSC 36058SCHEMBL716358DTXSID803649317beta-hydroxy-5alpha-AndrostanAndrostan-17-ol,17.beta.)-
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 391
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 163 °C · 163 °C
- Boiling point
- 375.9 · 375.9±10.0 °C(Predicted)
- Density
- 1.019 · 1.019±0.06 g/cm3(Predicted)
- pka
- 15.1 · 15.10±0.60(Predicted)
- FDA UNII
- 5 JL49BERK · I5JL49BERK
Chemistry & industry
Additional notes
DefinitionChEBI: 5alpha-Androstan-17beta-ol is an androstanoid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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