(3S,8R,9S,10R,13S,14S,16S,17R)-3-methoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-16,17-diol
Basic information
- CAS
6767-49-3- Standard SMILES
CO[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@H](O)[C@H](O)[C@@]4(C)CC[C@@H]32)C1- InChIKey
QUBMMHUOTQYUMC-RGJFDMQWSA-N- Molecular formula
- C20H32O3
- Average molar mass
- 320.5 g/mol
- Monoisotopic mass
- 320.23514488
Names & identifiers
- Preferred name
- (3S,8R,9S,10R,13S,14S,16S,17R)-3-methoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-16,17-diol
- IUPAC
- (3S,8R,9S,10R,13S,14S,16S,17R)-3-methoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-16,17-diol
Names & synonyms
NSC898456767-49-3NSC-89845
Database identifiers
- CAS
6767-49-3- PubChem CID
- 259694
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 515
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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