3alpha-Acetylthioandrostane-6,17-dione
Basic information
- Standard SMILES
CC(=O)S[C@@H]1CC[C@@]2(C)C(C1)C(=O)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12- InChIKey
KVXIDHKAYBLBCZ-PGRHZLMTSA-N- Molecular formula
- C21H30O3S
- Average molar mass
- 362.5 g/mol
Names & identifiers
- Preferred name
- 3alpha-Acetylthioandrostane-6,17-dione
- IUPAC
- S-[(3R,8R,9S,10R,13S,14S)-10,13-dimethyl-6,17-dioxo-2,3,4,5,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanethioate
Names & synonyms
SCHEMBL2789913KVXIDHKAYBLBCZ-PGRHZLMTSA-N3alpha-acetylthioandrostane-6,17-dione
Database identifiers
- PubChem CID
- 86635596
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 76.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 629
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Related reactions
6 records
Compound notes
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