Basic information
- Standard SMILES
CC(=O)OC[C@]12C(=C(C)C[C@H]3[C@@H]4CC[C@H](OC(C)=O)[C@@]4(C)CC[C@@H]31)C[C@@H](OC(C)=O)C[C@H]2C- InChIKey
QFWCTAJAXBTNEF-MBKHTXDESA-N- Molecular formula
- C27H40O6
- Average molar mass
- 460.6 g/mol
Names & identifiers
- Preferred name
- 1beta,6-Dimethyl-5-androstene-3beta,17beta,19-triol triacetate
- IUPAC
- [(1R,3S,8R,9S,10S,13S,14S,17S)-3,17-diacetyloxy-1,6,13-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-10-yl]methyl acetate
Names & synonyms
SCHEMBL11580689QFWCTAJAXBTNEF-MBKHTXDESA-N1beta,6-dimethyl-5-androstene-3beta,17beta,19-triol triacetate
Database identifiers
- PubChem CID
- 70614955
Properties
Computed structural properties
- XLogP
- 4.2
- 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
- 861
Related reactions
1 records
Compound notes
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