Decentapicrin A
[(2S,3R,4S,5R,6R)-2-[[(3S,4R,4aS)-4-ethenyl-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] 3-hydroxybenzoate
Also Known As: DECENTAPICRIN A|[(2S,3R,4S,5R,6R)-2-[[(3S,4R,4aS)-4-ethenyl-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] 3-hydroxybenzoate|1H,3H-Pyrano(3,4-c)pyran-1-one, 5-ethenyl-4,4a,5,6-tetrahydro-6-((3-O-(3-hydroxybenzoyl)-beta-D-glucopyranosyl)oxy)-, (4aS,5R,6S)-|(2R,3R,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-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-4-yl 3-hydroxybenzoate|((2S,3R,4S,5R,6R)-2-(((3S,4R,4aS)-4-ethenyl-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano(3,4-c)pyran-3-yl)oxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl) 3-hydroxybenzoate|(4aS,5R,6S)-5-Ethenyl-1-oxo-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-6-yl 3-O-(3-hydroxybenzoyl)-beta-D-glucopyranoside
| Molecular Formula | C23H26O11 |
|---|---|
| Molecular Weight | 478.14752 g/mol |
| LogP | 1.0 |
| 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 | 77533-68-7 |
|---|---|
| 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)CO)O)OC(=O)C4=CC(=CC=C4)O)O |
| InChIKey | JHCLMPIGKNWZOZ-WFFJNAPESA-N |
Product Overview
Decentapicrin A (CAS 77533-68-7), with molecular formula C23H26O11 and molecular weight 478.14752 g/mol. IUPAC: [(2S,3R,4S,5R,6R)-2-[[(3S,4R,4aS)-4-ethenyl-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] 3-hydroxybenzoate.