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

CAS

508-92-9

Catalog Number

ACM508929

Category

Other Products

Molecular Weight

372.498 g/mol

Molecular Formula

C₂₃H₃₂O₄

MSDS COA Spec Sheet

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Specification

Synonyms

Xysmalogenin, 5-Dehydrouzarigenin, BRN 0051836, (3-beta)-3,14-Dihydroxycarda-5,20(22)-dienolide, CARDA-5,20(22)-DIENOLIDE, 3-beta,14-DIHYDROXY-, ZINC31166869, 4-18-00-01602 (Beilstein Handbook Reference), Carda-5,20(22)-dienolide, 3,14-dihydroxy-, (3-beta)- (9CI), 11032-22-7, 508-92-9

IUPAC Name

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

Canonical SMILES

CC12CCC(CC1=CCC3C2CCC4(C3(CCC4C5=CC(=O)OC5)O)C)O

InChI Key

ZICGJBPBLVXOBM-MITUEXOSSA-N

Exact Mass

372.23000

H-Bond Acceptor

H-Bond Donor