Basic information
- Standard SMILES
CC(=O)O[C@@H]1C[C@@H]2C[C@@H](C)[C@H]3[C@@H]4CC[C@H](OC(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(CO)[C@H](C)C1- InChIKey
YTFOXNGZEOJRKH-VWANVUBGSA-N- Molecular formula
- C25H40O5
- Average molar mass
- 420.6 g/mol
- Monoisotopic mass
- 420.28757437
Names & identifiers
- Preferred name
- 1beta,7alpha-Dimethyl-5alpha-androstane-3beta,17beta,19-triol 3,17-diacetate
- IUPAC
- [(1R,3S,5S,7R,8R,9S,10R,13S,14S,17S)-3-acetyloxy-10-(hydroxymethyl)-1,7,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
Names & synonyms
SCHEMBL11578659YTFOXNGZEOJRKH-VWANVUBGSA-N1beta,7alpha-dimethyl-5alpha-androstane-3beta,17beta,19-triol 3,17-diacetate
Database identifiers
- PubChem CID
- 70614545
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 691
Related reactions
1 records
Compound notes
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