CAS 6045-53-0 17alpha-Hydroxyestra-1,3,5(10)-trien-3-yl Benzoate (17-epi-Estradiol Benzoate)

CAT	APS6045530
CAS	6045-53-0
Structure
Synonyms	17alpha-Hydroxyestra-1,3,5(10)-trien-3-yl Benzoate, 17-epi-Estradiol Benzoate, Estradiol Benzoate Imp. E (EP)
IUPAC Name	[(8R,9S,13S,14S,17R)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate
Molecular Weight	376.49
Molecular Formula	C25H28O3
Canonical SMILES	C[C@]12CC[C@H]3[C@@H](CCc4cc(OC(=O)c5ccccc5)ccc34)[C@@H]1CC[C@H]2O
InChI	InChI=1S/C25H28O3/c1-25-14-13-20-19-10-8-18(28-24(27)16-5-3-2-4-6-16)15-17(19)7-9-21(20)22(25)11-12-23(25)26/h2-6,8,10,15,20-23,26H,7,9,11-14H2,1H3/t20-,21-,22+,23-,25+/m1/s1

Accurate Mass	376.2038
API Family	Matrix - API Family Estradiol Benzoate
Format	Neat
Product Type	Impurity
Shipping	Room Temperature
Storage Conditions	+5°C
Subcategory	Mikromol, Impurity standards, Hormones, Steroids and derivatives

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