14-Hydroxy-17-(2-oxo-2,5-dihydro-3-furanyl)androstan-3-yl hexopyranoside
4-[14-hydroxy-10,13-dimethyl-3-[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
Also Known As: Actodigine|ACTODIGIN|Actodigino|Actodiginum|Actodigin [USAN:INN]|Actodigine [INN-French]|Actodiginum [INN-Latin]|Actodigino [INN-Spanish]|AC1L1Y1Q|3-O-(beta-D-Glucopyranosyl)digitoxigenin|AY 22241|14-hydroxy-17-(2-oxo-2,5-dihydro-3-furanyl)androstan-3-yl hexopyranoside|24-Norchol-20(22)-en-21-oic acid, 3-(.beta.-D-glucopyranosyloxy)-14,23-dihydroxy-, .gamma.-lactone, (3.beta.,5.beta.,14.beta.)-|3beta-(beta-D-Glucopyranosyloxy)-14,23-dihydroxy-24-nor-5beta,14beta-chol-20(22)-en-21-oic acid gamma-lactone|4-[(3S,5R,8R,9S,10S,13R,14S,17S)-14-hydroxy-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-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|4-[14-hydroxy-10,13-dimethyl-3-[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 Formula | C29H44O9 |
|---|---|
| Molecular Weight | 536.2985 g/mol |
| LogP | 1.43 |
| Topological Polar Surface Area | 145.91 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 536.2985 |
| Heavy Atoms | 38 |
| Complexity | 967.7 |
Chemical Identifiers
| CAS Number | 36983-69-4 |
|---|---|
| SMILES | CC12CCC(CC1CCC3C2CCC4(C3(CCC4C5=CCOC5=O)O)C)OC6C(C(C(C(O6)CO)O)O)O |
Product Overview
14-Hydroxy-17-(2-oxo-2,5-dihydro-3-furanyl)androstan-3-yl hexopyranoside (CAS 36983-69-4), with molecular formula C29H44O9 and molecular weight 536.2985 g/mol. IUPAC: 4-[14-hydroxy-10,13-dimethyl-3-[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.
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