16-(Acetyloxy)-3-[(2,6-dideoxyhexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide
[3-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate
Also Known As: EINECS 258-733-9|16-(acetyloxy)-3-[(2,6-dideoxyhexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide|[3-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate
| Molecular Formula | C31H46O9 |
|---|---|
| Molecular Weight | 562.3142 g/mol |
| LogP | 3.03 |
| Topological Polar Surface Area | 131.75 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 562.3142 |
| Heavy Atoms | 40 |
| Complexity | 1047.4 |
Chemical Identifiers
| CAS Number | 53735-71-0 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CC(C5C6=CC(=O)OC6)OC(=O)C)O)C)C)O)O |
Product Overview
16-(Acetyloxy)-3-[(2,6-dideoxyhexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide (CAS 53735-71-0), with molecular formula C31H46O9 and molecular weight 562.3142 g/mol. IUPAC: [3-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate.
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