3-(3,4-Dimethyl-2-pentenoyl)bruceantin
methyl (2S,3R,6R,8R,13S,14R,15R,16S,17R)-3,10-bis[[(E)-3,4-dimethylpent-2-enoyl]oxy]-15,16-dihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate
Also Known As: 3-(3,4-Dimethyl-2-pentenoyl)bruceantin|Picras-3-en-21-oic acid, 3,15-bis((3,4-dimethyl-1-oxo-2-pentenyl)oxy)-13,20-epoxy-11,12-dihydroxy-2,16-dioxo-, methyl ester, (3(E),11beta,12alpha,15beta(E))-
| Molecular Formula | C35H46O12 |
|---|---|
| Molecular Weight | 658.29895 g/mol |
| LogP | 2.7406 |
| Topological Polar Surface Area | 171.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 658.29895 |
| Monoisotopic Mass | 658.29895 |
| Heavy Atoms | 47 |
| Complexity | 1486.4204 |
Chemical Identifiers
| CAS Number | 76215-40-2 |
|---|---|
| SMILES | CC1=C(C(=O)C[C@]2([C@H]1C[C@@H]3C45[C@@H]2[C@H]([C@@H]([C@@]([C@@H]4[C@H](C(=O)O3)OC(=O)/C=C(\C)/C(C)C)(OC5)C(=O)OC)O)O)C)OC(=O)/C=C(\C)/C(C)C |
Product Overview
3-(3,4-Dimethyl-2-pentenoyl)bruceantin (CAS 76215-40-2), with molecular formula C35H46O12 and molecular weight 658.29895 g/mol. IUPAC: methyl (2S,3R,6R,8R,13S,14R,15R,16S,17R)-3,10-bis[[(E)-3,4-dimethylpent-2-enoyl]oxy]-15,16-dihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate.
3-(3,4-Dimethyl-2-pentenoyl)bruceantin is a custom synthesis product. We offer services from milligram to kilogram scale.
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