(5Beta)-14-hydroxy-3-oxocard-20(22)-enolide

Catalog Number

ACM1102881

Product Name

(5Beta)-14-hydroxy-3-oxocard-20(22)-enolide

Structure

CAS

1102-88-1

Category

Heterocyclic Organic Compound

Synonyms

Digitoxigenon, Digitoxigenone, 3-Digitoxigenone, 3-Oxodigitoxigenin, 3-Ketodigitoxigenin, 3-Dehydrodigitoxigenin, EINECS 214-159-0, CID14197, ZINC04063410, LS-52479, (5beta)-14-Hydroxy-3-oxocard-20(22)-enolide, 14-Hydroxy-3-oxo-5-beta-card-20(22)-enolide, Card-20(22)-enolide, 14-hydroxy-3-oxo-, (5-beta)-, 5-beta-CARD-20(22)-ENOLIDE, 14-HYDROXY-3-OXO-, 1102-88-1

IUPAC Name

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

Molecular Weight

372.498 g/mol

Molecular Formula

C₂₃H₃₂O₄

Canonical SMILES

CC12CCC(=O)CC1CCC3C2CCC4(C3(CCC4C5=CC(=O)OC5)O)C

InChI Key

REJBTXQSIQFRRE-AVYQLUFWSA-N

Boiling Point

548.5ºC at 760mmHg

Flash Point

188.8ºC

Density

1.227g/cm³

EC Number

214-159-0

Exact Mass

372.23000

H-Bond Acceptor

4

H-Bond Donor

1

MSDS

COA

Spec Sheet