3-((2,6-Dideoxyhexopyranosyl)oxy)-14-hydroxycard-20(22)-enolide
3-[(3S,5R,10S,13R,14S,17R)-3-[(2R,5S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-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: Evatromonoside, Digitoxigenin digitoxoside, Digitoxigenin monodigitoxoside, EINECS 242-284-0, BRN 0066592, 4-18-00-01475 (Beilstein Handbook Reference), 3-((2,6-Dideoxy-beta-D-ribo-hexopyranosyl)oxy)-14-hydroxycard-20(22)-enolide (3beta,5beta)-, 3-beta-O-(2,6-Dideoxy-beta-D-ribo-hexopyranosyl)-14-hydroxy-5-beta-card-20(22)-enolide, Card-20(22)-enolide, 3-((2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-14-hydroxy-, (3beta,5beta)-, (5beta)-3beta-((2,6-Dideoxy-beta-D-ribo-hexopyranosyl)oxy)-14-hydroxycard-20(22)-enolide, 3-((2,6-Dideoxyhexopyranosyl)oxy)-14-hydroxycard-20(22)-enolide, 3-[(2,6-Dideoxyhexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide, 5-beta-Card-20(22)-enolide, 3-beta-O-(2,6-dideoxy-beta-D-ribo-hexopyranosyl)-14-hydroxy-, (5beta)-3beta-[(2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide, (8xi,9xi)-3beta-[(2,6-Dideoxy-beta-D-glycero-hexopyranosyl)oxy]-14-hydroxy-5beta-card-20(22)-enolide
| Molecular Formula | C29H44O7 |
|---|---|
| Molecular Weight | 504.30872 g/mol |
| LogP | 3.49 |
| Topological Polar Surface Area | 105.45 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 504.30872 |
| Heavy Atoms | 36 |
| Complexity | 907 |
Chemical Identifiers
| CAS Number | 18404-43-8 |
|---|---|
| SMILES | CC1[C@H](C(C[C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CCC4C3CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)C)O)O |
Product Overview
3-((2,6-Dideoxyhexopyranosyl)oxy)-14-hydroxycard-20(22)-enolide (CAS 18404-43-8), with molecular formula C29H44O7 and molecular weight 504.30872 g/mol. IUPAC: 3-[(3S,5R,10S,13R,14S,17R)-3-[(2R,5S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-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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