Estradiol-3-benzoate-17-butyrate

For Research Use Only.
Category
Impurities
Cat.No.
NP3304
CAS
63042-18-2
Product Name
Estradiol-3-benzoate-17-butyrate
Structure

Product Details

Synonyms
beta-Estradiol-3-benzoate 17-N-butyrate; Estradiol benzoate butyrate; Estradiol-3- benzoate-17-butyrate
IUPAC Name
[(8R,9S,13S,14S,17S)-17-butanoyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate
Molecular Weight
446.58
Molecular Formula
C29H34O4
Canonical SMILES
CCCC(=O)OC1CCC2C1(CCC3C2CCC4=C3C=CC(=C4)OC(=O)C5=CC=CC=C5)C
InChI
InChI=1S/C29H34O4/c1-3-7-27(30)33-26-15-14-25-24-12-10-20-18-21(32-28(31)19-8-5-4-6-9-19)11-13-22(20)23(24)16-17-29(25,26)2/h4-6,8-9,11,13,18,23-26H,3,7,10,12,14-17H2,1-2H3/t23-,24-,25+,26+,29+/m1/s1
InChIKey
MKYFGNOOEKZNPW-ZRJUGLEFSA-N
Purity
98.0%
Density
1.18 g/cm3
Appearance
White to off white powder
Form
Powder
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