Neritaloside
[(3S,5R,10S,13R,14S,16S)-3-[(2S,5S)-3,5-dihydroxy-4-methoxy-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: Neritaloside, Acoschimperoside P, 16-Acetylstrospeside, Strospeside, 16-acetate, CTK1D6463, [(3S,5R,10S,13R,14S,16S)-3-[(2S,5S)-3,5-dihydroxy-4-methoxy-6-methyl-oxan-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, [(3S,5R,10S,13R,14S,16S)-3-[(2S,5S)-3,5-dihydroxy-4-methoxy-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, 3-beta,5-beta,16-beta-Card-20(22)-enolide, 16-(acetyloxy)-3-((6-deoxy-3-O-methyl-alpha-L-mannopyranosyl)oxy)-14-hydroxy-
| Molecular Formula | C32H48O10 |
|---|---|
| Molecular Weight | 592.32477 g/mol |
| LogP | 2.65 |
| Topological Polar Surface Area | 140.98 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 592.32477 |
| Heavy Atoms | 42 |
| Complexity | 1108 |
Chemical Identifiers
| CAS Number | 465-13-4 |
|---|---|
| SMILES | CC1[C@@H](C(C([C@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CCC4C3CC[C@]5([C@@]4(C[C@@H](C5C6=CC(=O)OC6)OC(=O)C)O)C)C)O)OC)O |
Product Overview
Neritaloside (CAS 465-13-4), with molecular formula C32H48O10 and molecular weight 592.32477 g/mol. IUPAC: [(3S,5R,10S,13R,14S,16S)-3-[(2S,5S)-3,5-dihydroxy-4-methoxy-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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