Basic information
- CAS
126559-87-3- Standard SMILES
CC12CC3CCc4cc(O)cc5c4C3C(CC5)C1CCC2O- InChIKey
XYAKQYBVMFIILR-UHFFFAOYSA-N- Molecular formula
- C20H26O2
- Average molar mass
- 298.4 g/mol
- Monoisotopic mass
- 298.19328007
Overview
structure given in first source
Names & identifiers
- Preferred name
- 1,11-Ethanoestradiol
- IUPAC
- 6-methylpentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-11(19),12,14-triene-5,13-diol
- English name
- 1,11-ethanoestradiol
- Molecular formula
- C20H26O2
- Molecular weight
- 298.42
Names & synonyms
1,11-Ethanoestradiol126559-87-3RefChem:711841,11 beta-ethanoestradiol1,11beta-Ethanoestradiol6a-methyl-5,5a,6,6a,7,8,9,9a,9b,10,11,11c-dodecahydro-4h-cyclopenta[a]pyrene-2,7-diolDTXSID109255936-methylpentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-11(19),12,14-triene-5,13-diolBenz[1,10,9,11]estra-1(10),2,4,9(11)-tetraene-3,17-diol, 5',6',9,11-tetrahydro-
Database identifiers
- CAS
126559-87-3- PubChem CID
- 67394
- DTXSID
DTXSID10925593
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 463
Chemistry & industry
Suppliers1 total
济南思考化学有限公司0531-0000 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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