3-[(6-Deoxy-3-O-methylhexopyranosyl)oxy]-14,19-dihydroxycard-20(22)-enolide
3-[(3S,5R,10R,13R,14S,17R)-3-[(2S,5R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-10-(hydroxymethyl)-13-methyl-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: Ruvoside, Theveneriin, Ruvosid, Ruvosid [German], Thevefolin (terpene glycoside), BRN 0070811, 4-18-00-02486 (Beilstein Handbook Reference), 3-beta,5-beta-Card-20(22)-enolide, 3-((6-deoxy-3-O-methyl-alpha-L-glucopyranosyl)oxy)-14,19-dihydroxy-, 3-[(6-Deoxy-3-O-methylhexopyranosyl)oxy]-14,19-dihydroxycard-20(22)-enolide, (8xi,9xi)-3beta-[(6-Deoxy-3-O-methyl-alpha-D-glycero-hexopyranosyl)oxy]-14,19-dihydroxy-5beta-card-20(22)-enolide, 3-[(3S,5R,10R,13R,14S,17R)-3-[(2S,5R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-10-(hydroxymethyl)-13-methyl-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 | C30H46O9 |
|---|---|
| Molecular Weight | 550.3142 g/mol |
| LogP | 2.08 |
| Topological Polar Surface Area | 134.91 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 550.3142 |
| Heavy Atoms | 39 |
| Complexity | 985 |
Chemical Identifiers
| CAS Number | 6859-20-7 |
|---|---|
| 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)CO)O)OC)O |
Product Overview
3-[(6-Deoxy-3-O-methylhexopyranosyl)oxy]-14,19-dihydroxycard-20(22)-enolide (CAS 6859-20-7), with molecular formula C30H46O9 and molecular weight 550.3142 g/mol. IUPAC: 3-[(3S,5R,10R,13R,14S,17R)-3-[(2S,5R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-10-(hydroxymethyl)-13-methyl-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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