3-[(3S,5R,10S,12R,13S,14S,17R)-12,14-Dihydroxy-10,13-dimethyl-3-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-

Catalog Number

ACM25817758

Product Name

3-[(3S,5R,10S,12R,13S,14S,17R)-12,14-Dihydroxy-10,13-dimethyl-3-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-

Structure

CAS

25817-75-8

Category

Heterocyclic Organic Compound

Synonyms

BRN 0071194, Digoxigenin-beta-D-glucosid [German], 12-beta,14-Dihydroxy-3-beta-((beta-D-glucopyranosyl)oxy)-5-beta-card-20(22)-enolide, 5-beta-Card-20(22)-enolide, 3-beta-((beta-D-glucopyranosyl)oxy)-12-beta,14-dihydroxy-, Digoxigenin-beta-D-glucosid, AC1L1P3Q, LS-52474, 25817-75-8, 3-[(3S,5R,10S,12R,13S,14S,17R)-12,14-dihydroxy-10,13-dimethyl-3-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

IUPAC Name

3-[(3S,5R,10S,12R,13S,14S,17R)-12,14-dihydroxy-10,13-dimethyl-3-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

Molecular Weight

552.654 g/mol

Molecular Formula

C₂₉H₄₄O₁₀

Canonical SMILES

CC12CCC(CC1CCC3C2CC(C4(C3(CCC4C5=CC(=O)OC5)O)C)O)OC6C(C(C(C(O6)CO)O)O)O

InChI Key

CUAXLUAVLKYFFN-DIODYCJYSA-N

Exact Mass

552.29300

H-Bond Acceptor

10

H-Bond Donor

6

MSDS

COA

Spec Sheet