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Product Overview

Product Code

TRC-A186830

CAS Number

5976-55-6

Product Format

Neat

Molecular Formula

C21H28O3

Molecular Weight

328.45

Product Categories

TRC, Impurity Reference Materials , Pharmaceutical Toxicology Reference Materials , API Reference Standards & Research Materials

Product Type

API

Product Information

Chemical Data

Analyte Name

17-O-Acetyl-3-O-methyl 17beta-Estradiol

CAS Number

5976-55-6

Molecular Formula

C21H28O3

Molecular Weight

328.45

Accurate Mass

328.2038

SMILES

COc1ccc2[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CCc2c1)OC(=O)C

InChI

InChI=1S/C21H28O3/c1-13(22)24-20-9-8-19-18-6-4-14-12-15(23-3)5-7-16(14)17(18)10-11-21(19,20)2/h5,7,12,17-20H,4,6,8-11H2,1-3H3/t17-,18-,19+,20+,21+/m1/s1

IUPAC

[(8R,9S,13S,14S,17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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17-O-Acetyl-3-O-methyl 17Beta-Estradiol

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