Pomiferin, triacetate
[2-acetyloxy-4-[5-acetyloxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-4-oxopyrano[2,3-h]chromen-3-yl]phenyl] acetate
Also Known As: Pomiferin triacetate|POMIFERIN, TRIACETATE|4-[5-(acetyloxy)-8,8-dimethyl-6-(3-methylbut-2-en-1-yl)-4-oxo-4h,8h-pyrano[2,3-f]chromen-3-yl]benzene-1,2-diyl diacetate|anhydro-5-acetoxy-2-hydroxyoxazolo<3,2-a>quinolinium hydroxide|[2-acetyloxy-4-[5-acetyloxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-4-oxopyrano[2,3-h]chromen-3-yl]phenyl] acetate|[2-acetoxy-4-[5-acetoxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-4-oxo-pyrano[2,3-h]chromen-3-yl]phenyl] acetate|4-[5-(Acetyloxy)-8,8-dimethyl-6-(3-methylbut-2-en-1-yl)-4-oxo-4H,8H-benzo[1,2-b:3,4-b']dipyran-3-yl]-1,2-phenylene diacetate|4-[5-(Acetyloxy)-8,8-dimethyl-6-(3-methylbut-2-en-1-yl)-4-oxo-4H,8H-pyrano[2,3-f]chromen-3-yl]-1,2-phenylene diacetate
| Molecular Formula | C31H30O9 |
|---|---|
| Molecular Weight | 546.18896 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 546.18896 |
| Monoisotopic Mass | 546.18896 |
| Heavy Atoms | 40 |
| Complexity | 1110.0 |
Chemical Identifiers
| CAS Number | 6296-95-3 |
|---|---|
| SMILES | CC(=CCC1=C2C(=C3C(=C1OC(=O)C)C(=O)C(=CO3)C4=CC(=C(C=C4)OC(=O)C)OC(=O)C)C=CC(O2)(C)C)C |
| InChIKey | PEPZRPSXMUHEEA-UHFFFAOYSA-N |
Product Overview
Pomiferin, triacetate (CAS 6296-95-3), with molecular formula C31H30O9 and molecular weight 546.18896 g/mol. IUPAC: [2-acetyloxy-4-[5-acetyloxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-4-oxopyrano[2,3-h]chromen-3-yl]phenyl] acetate.