Withanolide S

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For Research Use Only.

Category

Steroids

Cat.No.

NP6227

CAS

63139-16-2

Product Name

Withanolide S

Structure

Product Details

Description

Withanolide S is a steroid isolated from Physali alkekengi.

Synonyms

63139-16-2; NSC312620; 2-[1-hydroxy-1-(5,6,14,17-tetrahydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,15,16-octahydro-4H-cyclopenta[a]phenanthren-17-yl)ethyl]-4,5-dimethyl-2,3-dihydropyran-6-one; DTXSID00317201; NSC-312620

IUPAC Name

2-[1-hydroxy-1-(5,6,14,17-tetrahydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,15,16-octahydro-4H-cyclopenta[a]phenanthren-17-yl)ethyl]-4,5-dimethyl-2,3-dihydropyran-6-one

Molecular Weight

504.62

Molecular Formula

C28H40O8

Canonical SMILES

CC1=C(C(=O)OC(C1)C(C)(C2(CCC3(C2(CCC4C3CC(C5(C4(C(=O)C=CC5)C)O)O)C)O)O)O)C

InChI

InChI=1S/C28H40O8/c1-15-13-21(36-22(31)16(15)2)25(5,32)28(35)12-11-26(33)18-14-20(30)27(34)9-6-7-19(29)24(27,4)17(18)8-10-23(26,28)3/h6-7,17-18,20-21,30,32-35H,8-14H2,1-5H3/t17-,18+,20+,21+,23-,24-,25-,26+,27-,28-/m0/s1

InChIKey

PQZVBIJEPVKNOZ-PCLZMVHQSA-N

Purity

98.0%

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