11-Dehydro-3,17alpha-estradiol
Basic information
- CAS
4145-55-5- Standard SMILES
C[C@]12C=C[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@H]2O- InChIKey
YAXUWNGFJBVVRM-SFFUCWETSA-N- Molecular formula
- C18H22O2
- Average molar mass
- 270.4 g/mol
- Monoisotopic mass
- 270.16197994
Names & identifiers
- Preferred name
- 11-Dehydro-3,17alpha-estradiol
- IUPAC
- (8S,9S,13S,14S,17R)-13-methyl-6,7,8,9,14,15,16,17-octahydrocyclopenta[a]phenanthrene-3,17-diol
Names & synonyms
4145-55-511-Dehydro-3,17alpha-estradiol1,3,5(10),11-Estratetraene-3,17-alpha-diolDTXSID30961690Estra-1,3,5(10),11-tetraene-3,17-diol, (17alpha)-Estra-1(10),2,4,11-tetraene-3,17-diolEstra-1(10),2,4,11-tetraene-3,17alpha-diol
Database identifiers
- CAS
4145-55-5- PubChem CID
- 66434
- DTXSID
DTXSID30961690
Properties
Computed structural properties
- XLogP
- 3.8
- 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
- 418
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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