Withanolide C

Inquiry

For Research Use Only.

Category

Steroids

Cat.No.

NP6160

CAS

108030-78-0

Product Name

Withanolide C

Structure

Product Details

Description

Withanolide C is a steroid isolated from Physali alkekengi.

Synonyms

Withanolide C; 108030-78-0; (2R)-2-[(1S)-1-[(5R,6R,8R,9S,10S,13S,14R,17S)-5-chloro-6,14,17-trihydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,15,16-octahydro-4H-cyclopenta[a]phenanthren-17-yl]-1-hydroxyethyl]-4,5-dimethyl-2,3-dihydropyran-6-one; Ergosta-2,24-dien-26-oic acid, 5-chloro-6,14,17,20,22-pentahydroxy-1-oxo-, delta-lactone, (5alpha,6beta,17alpha,22R)-; DTXSID401317553; AKOS040762507

IUPAC Name

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

Molecular Weight

523.063

Molecular Formula

C28H39ClO7

Canonical SMILES

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

InChI

InChI=1S/C28H39ClO7/c1-15-13-21(36-22(32)16(15)2)25(5,33)28(35)12-11-27(34)18-14-20(31)26(29)9-6-7-19(30)24(26,4)17(18)8-10-23(27,28)3/h6-7,17-18,20-21,31,33-35H,8-14H2,1-5H3/t17-,18+,20+,21+,23-,24-,25-,26-,27+,28-/m0/s1

InChIKey

JEJZNYLQNCIUEG-DEMKYSCBSA-N

Purity

97.5%

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