Decentapicrin C
[(2R,3S,4S,5R,6S)-6-[[(3S,4R,4aS)-4-ethenyl-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3-hydroxybenzoate
Also Known As: Decentapicrin C|[(2R,3S,4S,5R,6S)-6-[[(3S,4R,4aS)-4-ethenyl-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3-hydroxybenzoate|1H,3H-Pyrano(3,4-c)pyran-1-one, 5-ethenyl-4,4a,5,6-tetrahydro-6-((6-O-(3-hydroxybenzoyl)-beta-D-glucopyranosyl)oxy)-, (4aS,5R,6S)-|((2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(((4aS,5R,6S)-1-oxo-5-vinyl-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-6-yl)oxy)tetrahydro-2H-pyran-2-yl)methyl 3-hydroxybenzoate|((2R,3S,4S,5R,6S)-6-(((3S,4R,4aS)-4-ethenyl-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano(3,4-c)pyran-3-yl)oxy)-3,4,5-trihydroxyoxan-2-yl)methyl 3-hydroxybenzoate|(4aS,5R,6S)-5-Ethenyl-1-oxo-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-6-yl 6-O-(3-hydroxybenzoyl)-beta-D-glucopyranoside
| Molecular Formula | C23H26O11 |
|---|---|
| Molecular Weight | 478.14752 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 478.14752 |
| Monoisotopic Mass | 478.14752 |
| Heavy Atoms | 34 |
| Complexity | 798.0 |
Chemical Identifiers
| CAS Number | 77533-66-5 |
|---|---|
| SMILES | C=C[C@@H]1[C@@H]2CCOC(=O)C2=CO[C@H]1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C4=CC(=CC=C4)O)O)O)O |
| InChIKey | LLCUFGHGNKZIQM-RUNRASHISA-N |
Product Overview
Decentapicrin C (CAS 77533-66-5), with molecular formula C23H26O11 and molecular weight 478.14752 g/mol. IUPAC: [(2R,3S,4S,5R,6S)-6-[[(3S,4R,4aS)-4-ethenyl-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3-hydroxybenzoate.