Basic information
- CAS
5864-38-0- Standard SMILES
CC12CCC3c4ccc(O)cc4CCC3C1CCC2O- InChIKey
VOXZDWNPVJITMN-UHFFFAOYSA-N- Molecular formula
- C18H24O2
- Average molar mass
- 272.4 g/mol
Overview
13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol is a steroid. It has a role as an estrogen.
Names & identifiers
- Preferred name
- 13-Methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta(a)phenanthrene-3,17-diol
- IUPAC
- 13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Names & synonyms
13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol13-Methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta(a)phenanthrene-3,17-diolRefChem:10574835864-38-01093411-48-315-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-triene-5,14-diol17?-Estradiol15-methyltetracyclo[8.7.0.0<2,7>.0<11,15>]heptadeca-2(7),3,5-triene-5,14-diol1,3,5(10)-Estratriene-3,17 beta-diol1,3,5-Estratriene-3,17beta-diolEC-Estradiol?-Estradiol
Show more names
17?-Estradiol-d4CHEMBL41217?-Estradiol-d5 solutionNCIOpen2_007331SCHEMBL94610CHEBI:95191HMS5079B16HMS5087D05
Database identifiers
- CAS
5864-38-0- PubChem CID
- 450
- ChEMBL
CHEMBL412- ChEBI
CHEBI:95191
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
Experimental & physicochemical properties
DrugsPharmaceuticals
Related reactions
3 records
Compound notes
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