6alpha-Senecioyloxychaparrin
[(1S,4R,5R,6R,7S,11S,12R,13S,16S,17S,18S,19R)-4,5,16,17-tetrahydroxy-6,14,18-trimethyl-9-oxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-12-yl] 3-methylbut-2-enoate
Also Known As: 6-Asoc|6alpha-Senecioyloxychaparrin|6 Alpha-senecioyloxychaparrin|[(1S,4R,5R,6R,7S,11S,12R,13S,16S,17S,18S,19R)-4,5,16,17-tetrahydroxy-6,14,18-trimethyl-9-oxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-12-yl] 3-methylbut-2-enoate|Picras-3-en-16-one, 11,20-epoxy-1,2,11,12-tetrahydroxy-6-((3-methyl-1-oxo-2-butenyl)oxy)-, (1beta,2alpha,6alpha,11beta,12alpha)-|1,2,11,12-Tetrahydroxy-16-oxo-11,20-epoxypicras-3-en-6-yl 3-methylbut-2-enoate|1beta,2alpha,11beta,12alpha-Tetrahydroxy-16-oxo-11,20-epoxypicras-3-en-6alpha-yl 3-methylbut-2-enoate
| Molecular Formula | C25H34O9 |
|---|---|
| Molecular Weight | 478.22028 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 478.22028 |
| Monoisotopic Mass | 478.22028 |
| Heavy Atoms | 34 |
| Complexity | 985.0 |
Chemical Identifiers
| CAS Number | 82151-95-9 |
|---|---|
| SMILES | C[C@@H]1[C@@H]2CC(=O)O[C@H]3[C@@]24CO[C@@]([C@@H]1O)([C@@H]4[C@@]5([C@@H]([C@H]3OC(=O)C=C(C)C)C(=C[C@@H]([C@H]5O)O)C)C)O |
| InChIKey | GHYBVLUUZDLXRW-ASJGUVDWSA-N |
Product Overview
6alpha-Senecioyloxychaparrin (CAS 82151-95-9), with molecular formula C25H34O9 and molecular weight 478.22028 g/mol. IUPAC: [(1S,4R,5R,6R,7S,11S,12R,13S,16S,17S,18S,19R)-4,5,16,17-tetrahydroxy-6,14,18-trimethyl-9-oxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-12-yl] 3-methylbut-2-enoate.
6alpha-Senecioyloxychaparrin is a custom synthesis product. We offer services from milligram to kilogram scale.
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