Estradiol hemihydrate, British pharmacop

cas: 35380-71-3 — see every product listed under this CAS number, including other names

Estradiol hemihydrate, British pharmacop (CAS 35380-71-3) is a chemical reagent available from Chemat. Available pack sizes: -. Offered by: Sigma-Aldrich.

brandSigma-Aldrich
catalog numberBP729
cas35380-71-3
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Sigma-Aldrich - 1120.30 Pln
Structural formula: {0} (CAS {1})

Bis((8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol);hydrate (CAS 35380-71-3) is a chemical compound with the molecular formula C36H50O5 and a molecular weight of 562.8 g/mol. IUPAC name: bis((8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol);hydrate. InChIKey: ZVVGLAMWAQMPDR-WVEWYJOQSA-N.

Identity
Molecular formulaC36H50O5
Molecular weight562.8 g/mol
IUPAC namebis((8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol);hydrate
InChIKeyZVVGLAMWAQMPDR-WVEWYJOQSA-N
SMILESC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)O.C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)O.O

Computed by PubChem (NCBI)

Synonyms: ESTRADIOL HEMIHYDRATE, Estrasorb, MYFEMBREE COMPONENT ESTRADIOL HEMIHYDRATE, 17b-Estradiol, beta-Estradiol semihydrate, Estrasorb (TN), beta-Estradiol hemihydrate, Estradiol hemihydrate CRS, orb1744935, ZVVGLAMWAQMPDR-WVEWYJOQSA-N
Isomers (same molecular formula)
1-[2-[2-[4,5-dimethoxy-2-[3-(2-methylphenyl)prop-1-en-2-yl]cyclohexyl]oxy-4,5-dimethoxycyclohexyl]prop-2-enyl]-2-methylbenzene C36H50O5

Also listed as

Estradiol Hemihydrate Hubei YoungXin CAS 35380-71-3
Estradiol Hemihydrate (17beta-Estradiol Hemihydrate) 1.0 mg/ml in Acetonitrile (anhydrous substance) LoGiCal CAS 35380-71-3
Estradiol (hemihydrate), 99.79% MedChemExpress CAS 35380-71-3
beta-Estradiol hemihydrate, 100 µg/ml in Methanol, ISO 17034 CRM HPC Standards CAS 35380-71-3