Estradiol-3-benzoate-17-butyrate

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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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