Basic information
- CAS
23637-93-6- Standard SMILES
C[C@H]1CC2(C)C(CC[C@@H]2O)C2CCc3cc(O)ccc3C21- InChIKey
DMSFWIJHZMGIJI-RLSUHUEFSA-N- Molecular formula
- C19H26O2
- Average molar mass
- 286.4 g/mol
- Monoisotopic mass
- 286.19328007
Names & identifiers
- Preferred name
- 11-Methylestra-1(10),2,4-triene-3,17-diol
- IUPAC
- (11S,17S)-11,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Names & synonyms
DTXSID6094645511-Methylestra-1(10),2,4-triene-3,17-diol11beta-Methylestra-1(10),2,4-triene-3,17beta-diol
Database identifiers
- CAS
23637-93-6- PubChem CID
- 32032
- DTXSID
DTXSID60946455
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 408
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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