Basic information
- CAS
2694-98-6- Standard SMILES
CC12C=CC(O)CC1=CCC1C2CCC2(C)C1CC[C@]2(C)O- InChIKey
MQKCILYFKAJWDB-SYRRFROPSA-N- Molecular formula
- C20H30O2
- Average molar mass
- 302.5 g/mol
- Monoisotopic mass
- 302.2245802
Names & identifiers
- Preferred name
- 17-Methylandrosta-1,5-diene-3,17-diol
- IUPAC
- (17S)-10,13,17-trimethyl-3,4,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-diol
- English name
- 17-alpha-methylandrosta-1,5-diene-3-beta,17-beta-diol
- Molecular formula
- C20H30O2
- Molecular weight
- 302.45
Names & synonyms
17-alpha-Methylandrosta-1,5-diene-3-beta,17-beta-diolDTXSID0094972317-methylandrosta-1,5-diene-3,17-diol17beta-Methylandrosta-1,5-diene-3,17alpha-diol17α-Methylandrosta-1,5-diene-3β,17β-diolAndrosta-1,5-diene-3,17-diol, 17-methyl-, (3β,17β)- (9CI)
Database identifiers
- CAS
2694-98-6- PubChem CID
- 17600
- DTXSID
DTXSID00949723
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 550
Physicochemical properties
- Boiling point
- 439.7 · 439.7±45.0 °C(Predicted)
- Density
- 1.13 · 1.13±0.1 g/cm3(Predicted)
- pka
- 14.14 · 14.14±0.70(Predicted)
- FDA UNII
- 156 YBSM · SOT156YBSM
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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