Basic information
- Standard SMILES
CCC[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)C[C@H](C)[C@]4(C)[C@H]3CC[C@@]21C- InChIKey
BTYHGOMKOXOZIG-ZRGLUKMUSA-N- Molecular formula
- C25H42O3
- Average molar mass
- 390.6 g/mol
Names & identifiers
- Preferred name
- 17beta-Acetoxy-1alpha-methyl-17alpha-n-propyl-5alpha-androstan-3beta-ol
- IUPAC
- [(1S,3S,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-1,10,13-trimethyl-17-propyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl] acetate
Names & synonyms
SCHEMBL10408015BTYHGOMKOXOZIG-ZRGLUKMUSA-N17beta-acetoxy-1alpha-methyl-17alpha-n-propyl-5alpha-androstan-3beta-ol
Database identifiers
- PubChem CID
- 70360261
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 617
Related reactions
8 records
Compound notes
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