Basic information
- CAS
367929-02-0- Standard SMILES
C=C[C@@]12CCc3cc(O)ccc3[C@H]1CC[C@@]1(C)[C@H]2CC[C@@H]1O- InChIKey
NMCRWZRLOOYKTG-SWBPCFCJSA-N- Molecular formula
- C20H26O2
- Average molar mass
- 298.4 g/mol
- Monoisotopic mass
- 298.19328007
Names & identifiers
- Preferred name
- D5KU4Jgs7Y
- IUPAC
- (8S,9S,13S,14S,17S)-8-ethenyl-13-methyl-7,9,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
Names & synonyms
D5KU4JGS7Y8beta-VE2UNII-D5KU4JGS7Y8beta-Vinylestra-1,3,5(10)-triene-3,17beta-ol367929-02-0Estra-1,3,5(10)-triene-3,17-diol, 8-ethenyl-, (17beta)-(17beta)-8-Ethenylestra-1,3,5(10)-triene-3,17-diol(8S,9S,13S,14S,17S)-8-Ethenyl-13-methyl-7,9,11,12,14,15,16,17-octahydro-6H-cyclopenta(a)phenanthrene-3,17-diolBAY-257(8S,9S,13S,14S,17S)-8-ethenyl-13-methyl-7,9,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol8.BETA.-VE2SCHEMBL1826307
Show more names
CHEMBL5303353DTXSID8010478018-vinylestra-1,3,5(10)-triene-3,17b-diol8.BETA.-VINYLESTRA-1,3,5(10)-TRIENE-3,17.BETA.-OL(17.BETA.)-8-ETHENYLESTRA-1,3,5(10)-TRIENE-3,17-DIOL
Database identifiers
- CAS
367929-02-0- PubChem CID
- 9832100
- DTXSID
DTXSID801047801- ChEMBL
CHEMBL5303353- UNII
- D5KU4JGS7Y
- Nikkaji
- J2.064.413C
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 461
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…