PIPTOCARPHIN A
[6-(acetyloxymethyl)-10,11-dihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-8-yl] 2-methylprop-2-enoate
Also Known As: PIPTOCARPHIN A|13-O-Acetylpiptocarphin C|NP5537|(2E)-6-[(ACETYLOXY)METHYL]-10,11-DIHYDROXY-1,10-DIMETHYL-5-OXO-4,14-DIOXATRICYCLO[9.2.1.0(3),?]TETRADECA-2,6-DIEN-8-YL 2-METHYLPROP-2-ENOATE|[(1S,2E,8R,10R,11R)-6-(acetyloxymethyl)-10,11-dihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0^{3,7]tetradeca-2,6-dien-8-yl] 2-methylprop-2-enoate
| Molecular Formula | C21H26O9 |
|---|---|
| Molecular Weight | 422.15768 g/mol |
| LogP | 1.19 |
| Topological Polar Surface Area | 128.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 422.15768 |
| Heavy Atoms | 30 |
| Complexity | 880.9 |
Chemical Identifiers
| CAS Number | 76248-63-0 |
|---|---|
| SMILES | CC(=C)C(=O)OC1CC(C2(CCC(O2)(C=C3C1=C(C(=O)O3)COC(=O)C)C)O)(C)O |
Product Overview
PIPTOCARPHIN A (CAS 76248-63-0), with molecular formula C21H26O9 and molecular weight 422.15768 g/mol. IUPAC: [6-(acetyloxymethyl)-10,11-dihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-8-yl] 2-methylprop-2-enoate.
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