Estradiol hexahydrobenzoate

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For Research Use Only.

Category

Impurities

Cat.No.

NP3303

CAS

15140-27-9

Product Name

Estradiol hexahydrobenzoate

Structure

Product Details

Synonyms

Estradiol hexahydrobenzoate; Estra-1,3,5(10)-triene-3,17beta-diol 17-cyclohexanecarboxylate

IUPAC Name

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

Molecular Weight

382.53566

Molecular Formula

C25H34O3

Canonical SMILES

CC12CCC3C(C1CCC2OC(=O)C4CCCCC4)CCC5=C3C=CC(=C5)O

InChI

InChI=1S/C25H34O3/c1-25-14-13-20-19-10-8-18(26)15-17(19)7-9-21(20)22(25)11-12-23(25)28-24(27)16-5-3-2-4-6-16/h8,10,15-16,20-23,26H,2-7,9,11-14H2,1H3/t20-,21-,22+,23+,25+/m1/s1

InChIKey

IVRCALGRJCHPRV-BZDYCCQFSA-N

Boiling Point

522.6°C at 760 mmHg

Purity

95%

Density

1.16g/cm3

Form

Powder

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