Basic information
- Standard SMILES
CC(=O)OC[C@]12[C@H](C)C[C@H](OC(C)=O)C[C@@H]1[C@H](C)C[C@H]1[C@@H]3CC[C@H](OC(C)=O)[C@@]3(C)CC[C@@H]12- InChIKey
XRXZADZCXVFABA-UPPLHUQQSA-N- Molecular formula
- C27H42O6
- Average molar mass
- 462.6 g/mol
Names & identifiers
- Preferred name
- 1beta,6beta-Dimethyl-5alpha-androstane-3beta,17beta,19-triol triacetate
- IUPAC
- [(1R,3S,5R,6R,8R,9S,10R,13S,14S,17S)-3,17-diacetyloxy-1,6,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-10-yl]methyl acetate
Names & synonyms
SCHEMBL11579466XRXZADZCXVFABA-UPPLHUQQSA-N1beta,6beta-dimethyl-5alpha-androstane-3beta,17beta,19-triol triacetate
Database identifiers
- PubChem CID
- 70614713
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 793
Related reactions
1 records
Compound notes
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