Caudatin

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For Research Use Only.

Category

Steroids

Cat.No.

NP6127

CAS

38395-02-7

Product Name

Caudatin

Structure

Product Details

Description

Caudatin isolated from the roots of Cynanchum otophyllum

Synonyms

(3beta,12beta,14beta,17alpha)-12-[[(2E)-3,4-Dimethyl-1-oxo-2-pentenyl]oxy]-3,8,14,17-tetrahydroxypregn-5-en-20-one;

IUPAC Name

[(3S,8S,9R,10R,12R,13S,14R,17R)-17-acetyl-3,8,14,17-tetrahydroxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] (E)-3,4-dimethylpent-2-enoate

Molecular Weight

490.6

Molecular Formula

C28H42O7

Canonical SMILES

CC(C)C(=CC(=O)OC1CC2C3(CCC(CC3=CCC2(C4(C1(C(CC4)(C(=O)C)O)C)O)O)O)C)C

InChI

InChI=1S/C28H42O7/c1-16(2)17(3)13-23(31)35-22-15-21-24(5)9-8-20(30)14-19(24)7-10-27(21,33)28(34)12-11-26(32,18(4)29)25(22,28)6/h7,13,16,20-22,30,32-34H,8-12,14-15H2,1-6H3/b17-13+/t20-,21+,22+,24-,25+,26-,27-,28+/m0/s1

InChIKey

VWLXIXALPNYWFH-UBHIOMQOSA-N

Purity

0.985

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