17-Methyl-5|A-androstane-3|A,16|A,17|A-triol
Basic information
- CAS
38863-74-0- Standard SMILES
C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@H](O)[C@]2(C)O- InChIKey
BFCTXQRHIFIDPO-MBYHYQHRSA-N- Molecular formula
- C20H34O3
- Average molar mass
- 322.5 g/mol
- Monoisotopic mass
- 322.25079494
Names & identifiers
- Preferred name
- 17-Methyl-5|A-androstane-3|A,16|A,17|A-triol
- IUPAC
- (3S,5S,8R,9S,10S,13S,14S,16S,17R)-10,13,17-trimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,16,17-triol
- English name
- 17-Methyl-
- Molecular formula
- C20H34O3
- Molecular weight
- 322.48
Names & synonyms
38863-74-017-Methyl-5|A-androstane-3|A,16|A,17|A-triol(3S,5S,8R,9S,10S,13S,14S,16S,17R)-10,13,17-trimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,16,17-triol17-Methyl-5alpha-androstane-3beta,16beta,17beta-triolDTXSID4085799417alpha-Methyl-5alpha-androstane-3beta,16beta,17beta-triol(3beta,5alpha,16beta,17beta)-17-Methylandrostane-3,16,17-triolTestosterone Impurity 7417-Methyl-5α-androstane-3β,16β,17β-triolAndrostane-3,16,17-triol, 17-methyl-, (3β,5α,16β,17β)-
Database identifiers
- CAS
38863-74-0- PubChem CID
- 71750106
- DTXSID
DTXSID40857994- Nikkaji
- J1.676.792A
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 493
Physicochemical properties
- Boiling point
- 438.5 · 438.5±15.0 °C(Predicted)
- Density
- 1.137 · 1.137±0.06 g/cm3(Predicted)
- pka
- 14.61 · 14.61±0.70(Predicted)
Chemistry & industry
Applications
UsesA metabolite of 17α-Methyltestosterone (M326400).
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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