Dihydrobruceantin
methyl 3-(3,4-dimethylpentanoyloxy)-10,15,16-trihydroxy-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: DIHYDROBRUCEANTIN|Methyl 15-[(3,4-dimethylpentanoyl)oxy]-3,11,12-trihydroxy-2,16-dioxo-13,20-epoxypicras-3-en-21-oate
CAS: 41328-90-9
| Molecular Formula | C28H38O11 |
|---|---|
| Molecular Weight | 550.2414 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 550.2414 |
| Monoisotopic Mass | 550.2414 |
| Heavy Atoms | 39 |
| Complexity | 1140.0 |
Chemical Identifiers
| CAS Number | 41328-90-9 |
|---|---|
| SMILES | CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)CC(C)C(C)C)(OC5)C(=O)OC)O)O)C)O |
| InChIKey | NDAUQCCKCKVGJF-UHFFFAOYSA-N |
Product Overview
Dihydrobruceantin (CAS 41328-90-9), with molecular formula C28H38O11 and molecular weight 550.2414 g/mol. IUPAC: methyl 3-(3,4-dimethylpentanoyloxy)-10,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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