3-((2,6-Dideoxy-3-O-methylhexopyranosyl)oxy)-14-hydroxycard-20(22)-enolide
3-[14-hydroxy-3-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-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: Odoroside A|Somalin|Beaumontoside|Wallichoside|Hongheloside G|Beaumontia grandiflora|Odorosid A [German]|NCI60_002016|3-[(2,6-dideoxy-3-o-methylhexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide|3-[14-hydroxy-3-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-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|3beta-[(3-O-Methyl-2,6-dideoxy-beta-D-lyxo-hexopyranosyl)oxy]-14-hydroxy-5alpha,14beta-carda-20(22)-enolide|3-((2,6-Dideoxy-3-O-methylhexopyranosyl)oxy)-14-hydroxycard-20(22)-enolide|3-[(2,6-dideoxy-3-O-methyl-D-ribo-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide|3-(14-hydroxy-3-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-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|3-[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-3-[(2R,4R,5S,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-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|3-[14-hydroxy-3-(5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl)oxy-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|Card-20(22)-enolide, 3-((2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)oxy)-14-hydroxy-, (3-beta,5-beta)-|Card-20(22)-enolide, 3-((2,6-dideoxy-3-O-methyl-beta-D-ribo-hexopyranosyl)oxy)-14-hydroxy-, (3beta,5beta)-
| Molecular Formula | C30H46O7 |
|---|---|
| Molecular Weight | 518.32434 g/mol |
| LogP | 4.14 |
| Topological Polar Surface Area | 94.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 518.32434 |
| Heavy Atoms | 37 |
| Complexity | 934.9 |
Chemical Identifiers
| CAS Number | 12708-27-9 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C)OC)O |
Product Overview
3-((2,6-Dideoxy-3-O-methylhexopyranosyl)oxy)-14-hydroxycard-20(22)-enolide (CAS 12708-27-9), with molecular formula C30H46O7 and molecular weight 518.32434 g/mol. IUPAC: 3-[14-hydroxy-3-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-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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