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

Catalog Number

ACM42716847

Product Name

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

Structure

CAS

42716-84-7

Category

Heterocyclic Organic Compound

Synonyms

Digitoxigenin 3-acetylaminoacetate, Digitoxigenin-3-beta-N-acetylglycyl ester, 3-beta,14-Dihydroxy-5-beta-card-20(22)-enolide 3-ester with N-acetylglycine, 5-beta-CARD-20(22)-ENOLIDE, 3-beta,14-DIHYDROXY-, 3-(ACETAMIDOACETATE) (ester), AC1L21CD, LS-52421, [(3S,5R,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] 2-acetamidoacetate, 42716-84-7

IUPAC Name

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

Molecular Weight

473.602 g/mol

Molecular Formula

C₂₇H₃₉NO₆

Canonical SMILES

CC(=O)NCC(=O)OC1CCC2(C(C1)CCC3C2CCC4(C3(CCC4C5=CC(=O)OC5)O)C)C

InChI Key

KQQSYNFZOHWYHT-VHNHFDOCSA-N

Exact Mass

473.27800

H-Bond Acceptor

6

H-Bond Donor

2

MSDS

COA

Spec Sheet