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Basic information
- Standard SMILES
CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@H]3C4=CC[C@H](C)[C@@]4(C)CC[C@@H]32)C1- InChIKey
PEWJJLDCHMBFBV-DULUUERBSA-N- Molecular formula
- C22H34O2
- Average molar mass
- 330.5 g/mol
Names & identifiers
- Preferred name
- 3beta-Acetoxy-17beta-methyl-5beta-androst-14-ene
- IUPAC
- [(3S,5R,8R,9S,10S,13R,17S)-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Names & synonyms
SCHEMBL7288355PEWJJLDCHMBFBV-DULUUERBSA-N3beta-acetoxy-17beta-methyl-5beta-androst-14-ene
Database identifiers
- PubChem CID
- 11045786
Properties
Computed structural propertiesFilling in
- XLogP
- 5.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 564
Related reactions
1 records
Compound notes
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