Products 1231-96-5

CAS 1231-96-5 appears in our catalog under these names: Ethinylestradiol EP Impurity B, 9,11-Dehydro Ethynyl Estradiol, >95% (HPLC), 19-Nor-17alpha-pregna-1,3,5(10),9(11)-tetraen-20-yne-3,17-diol (9,11-Didehydroethinylestradiol), Ethinyl estradiol Related Compound B. Offered by: Chemat Brand, TRC, Mikromol, Biosynth. Available pack sizes: on request, 100mg, 25mg, 50mg, 10mg.

Structural formula: {0} (CAS {1})

(8S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthrene-3,17-diol (CAS 1231-96-5) is a chemical compound with the molecular formula C20H22O2 and a molecular weight of 294.4 g/mol. IUPAC name: (8S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthrene-3,17-diol. InChIKey: DUZHXWCAIBMQPI-FYQPLNBISA-N.

Identity
Molecular formulaC20H22O2
Molecular weight294.4 g/mol
IUPAC name(8S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
InChIKeyDUZHXWCAIBMQPI-FYQPLNBISA-N
SMILESC[C@]12CC=C3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)O

Computed by PubChem (NCBI)