3β-Hydroxyergost-5-en-7-one

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For Research Use Only.

Category

Steroids

Cat.No.

NP6075

CAS

156767-69-0

Product Name

3β-Hydroxyergost-5-en-7-one

Structure

Product Details

Description

3β-Hydroxyergost-5-en-7-one is a steroid isolated from Jatropha curcas.

Synonyms

3beta-Hydroxyergost-5-en-7-one; 3-beta-Hydroxyergost-5-en-7-one

IUPAC Name

(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one

Molecular Weight

414.467

Molecular Formula

C28H46O2

Canonical SMILES

CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2C(=O)C=C4C3(CCC(C4)O)C)C

InChI

InChI=1S/C28H46O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-26-24(12-14-28(22,23)6)27(5)13-11-21(29)15-20(27)16-25(26)30/h16-19,21-24,26,29H,7-15H2,1-6H3/t18-,19+,21-,22+,23-,24-,26-,27-,28+/m0/s1

InChIKey

LTLKHSBYMNKWPF-WSDDEMAPSA-N

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