6-Hydroxystigmasta-4,22-dien-3-one

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For Research Use Only.

Category

Steroids

Cat.No.

NP6085

CAS

36450-01-8

Product Name

6-Hydroxystigmasta-4,22-dien-3-one

Structure

Product Details

Description

6-Hydroxystigmasta-4,22-dien-3-one is a steroid isolated from Hedyotis diffusa, which displays antibacterial and cytotoxic activities.

Synonyms

Stigmasta-4,22-dien-6beta-ol-3-one; 6beta-Hydroxystigmasta-4,22-diene-3-one

IUPAC Name

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

Molecular Weight

426.685

Molecular Formula

C29H46O2

Canonical SMILES

CCC(C=CC(C)C1CCC2C1(CCC3C2CC(C4=CC(=O)CCC34C)O)C)C(C)C

InChI

InChI=1S/C29H46O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-17-27(31)26-16-21(30)12-14-29(26,6)25(22)13-15-28(23,24)5/h8-9,16,18-20,22-25,27,31H,7,10-15,17H2,1-6H3/b9-8+/t19-,20-,22+,23-,24+,25+,27-,28-,29-/m1/s1

InChIKey

FFKIQLXJMQUBQZ-IRLJAPRMSA-N

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