Basic information
- CAS
517-04-4- Standard SMILES
CC12CCC3c4ccc(O)cc4CC[C@@H]3C1CC[C@@H]2O- InChIKey
VOXZDWNPVJITMN-ZZEXBNFBSA-N- Molecular formula
- C18H24O2
- Average molar mass
- 272.4 g/mol
- Monoisotopic mass
- 272.17763
Names & identifiers
- Preferred name
- Estra-1(10),2,4-triene-3,17-diol
- IUPAC
- (8S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Names & synonyms
DTXSID00965968Estra-1(10),2,4-triene-3,17-diol(9xi,13xi)-8alpha,14xi-Estra-1(10),2,4-triene-3,17beta-diol
Database identifiers
- CAS
517-04-4- PubChem CID
- 10596
- DTXSID
DTXSID00965968
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 382
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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