EHHB | |
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Molecular structure via molpic based on CDK |
Physical properties [] | |
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Molecular mass | 382.5 g/mol [1] |
Predicted LogP | 6.7 [1] |
Structural Identifiers [] | |
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Molecular formula | C25H34O3 [1] |
IUPAC name | [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] cyclohexanecarboxylate [1] |
SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)C4CCCCC4)CCC5=C3C=CC(=C5)O [1] |
InChI | InChI=1S/C25H34O3/c1-25-14-13-20-19-10-8-18(26)15-17(19)7-9-21(20)22(25)11-12-23(25)28-24(27)16-5-3-2-4-6-16/h8,10,15-16,20-23,26H,2-7,9,11-14H2,1H3/t20-,21-,22+,23+,25+/m1/s1 [1] |
InChIKey | IVRCALGRJCHPRV-BZDYCCQFSA-N [1] |
Estradiol hexahydrobenzoate
(Redirected from Estradiol hexahydrobenzoate)
Estradiol hexahydrobenzoate (also known as Estradiol, 17-cyclohexanecarboxylate, Cyclohexanecarboxylic acid, 17-ester with estradiol, Estra-1,3,5(10)-triene-3,17-diol (17β)-, 17-cyclohexanecarboxylate, 239-202-0, benzogynestryl, (8R,9S,13S,14S,17S)-3-Hydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-yl cyclohexanecarboxylate, Estra-1,3,5(10)-triene-3,17β-diol 17-cyclohexanecarboxylate, CS-0446981, 17β-Estra-1,3,5(10)-triene-3,17-diol 17-cyclohexanecarboxylate, Estra-1,3,5(10)-triene-3,17-diol (17 or A)-, 17-cyclohexanecarboxylate)
Chemistry
Stereochemistry []
Estradiol hexahydrobenzoate is a absolute mixture
See also []
External links []
References []
National Center for Biotechnology Information. PubChem Compound Summary for CID 21116138, Estradiol hexahydrobenzoate. Accessed July 7, 2025. https://pubchem.ncbi.nlm.nih.gov/compound/21116138
U.S. Food and Drug Administration; National Center for Advancing Translational Sciences. Estradiol hexahydrobenzoate. UNII: DI3496530P. Global Substance Registration System. Accessed July 7, 2025. https://gsrs.ncats.nih.gov/ginas/app/beta/substances/DI3496530P