Basic information
- CAS
21507-14-2- Standard SMILES
CO[C@H]1C[C@]2(C)[C@@H](O)CC[C@H]2[C@@H]2CCc3cc(O)ccc3[C@H]21- InChIKey
OAHDOJSNKCCHJM-VIUKOLAESA-N- Molecular formula
- C19H26O3
- Average molar mass
- 302.4 g/mol
- Monoisotopic mass
- 302.18819469
Names & identifiers
- Preferred name
- 11beta-Methoxyestradiol
- IUPAC
- (8S,9S,11S,13S,14S,17S)-11-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Names & synonyms
11beta-MethoxyestradiolR3M9HHJ34DCCRIS 720121507-14-211.BETA.-MEOE211.BETA.-METHOXYESTRADIOLRU-250411.BETA.-METHOXYESTRA-1,3,5(10)-TRIENE-3,17-DIOL11.BETA.-METHOXYESTRA-1,3,5(10)-TRIENE-3,17.BETA.-DIOL(11.BETA.,17.BETA.)-11-METHOXYESTRA-1,3,5(10)-TRIENE-3,17-DIOLESTRA-1,3,5(10)-TRIENE-3,17.BETA.-DIOL, 11.BETA.-METHOXY-ESTRA-1,3,5(10)-TRIENE-3,17-DIOL, 11-METHOXY-, (11.BETA.,17.BETA.)-
Show more names
RefChem:7806011BETA-MEOE211BETA-METHOXYESTRA-1,3,5(10)-TRIENE-3,17BETA-DIOL11BETA-METHOXYESTRA-1,3,5(10)-TRIENE-3,17-DIOL(11beta,17beta)-11-methoxyestra-1,3,5(10)-triene-3,17-diolESTRA-1,3,5(10)-TRIENE-3,17BETA-DIOL, 11BETA-METHOXY-ESTRA-1,3,5(10)-TRIENE-3,17-DIOL, 11-METHOXY-, (11BETA,17BETA)-UNII-R3M9HHJ34D
Database identifiers
- CAS
21507-14-2- PubChem CID
- 68568
- ChEMBL
CHEMBL368703- UNII
- R3M9HHJ34D
- Nikkaji
- J658.090D
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 425
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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