Basic information
- Standard SMILES
COC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C- InChIKey
ODKJUYSMFJPIRP-QNMZLRKGSA-N- Molecular formula
- C21H32O4
- Average molar mass
- 348.5 g/mol
- Monoisotopic mass
- 348.2300595
Names & identifiers
- Preferred name
- 3alpha-Hydroxy-17beta-methoxycarbonyl-5alpha-androstan-11-one
- IUPAC
- methyl (3R,5S,8S,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carboxylate
Names & synonyms
SCHEMBL11438482ODKJUYSMFJPIRP-QNMZLRKGSA-N3alpha-Hydroxy-17beta-methoxycarbonyl-5alpha-androstan-11-onemethyl 3alpha-hydroxy-11-oxo-5alpha-androstane-17beta-carboxylate
Database identifiers
- PubChem CID
- 70586102
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 586
Related reactions
2 records
Compound notes
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