Bruceantinoside A
methyl 3-(3,4-dimethylpent-2-enoyloxy)-15,16-dihydroxy-9,13-dimethyl-4,10-dioxo-11-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate
Also Known As: Bruceantinoside A|Bruceantoside A
CAS: 79439-85-3
| Molecular Formula | C34H46O16 |
|---|---|
| Molecular Weight | 710.27856 g/mol |
| LogP | -1.7325 |
| Topological Polar Surface Area | 245.04 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 7 |
| Exact Mass | 710.27856 |
| Monoisotopic Mass | 710.27856 |
| Heavy Atoms | 50 |
| Complexity | 1488.6832 |
Chemical Identifiers
| CAS Number | 79439-85-3 |
|---|---|
| SMILES | CC1C2CC3C45COC(C4C(C(=O)O3)OC(=O)C=C(C)C(C)C)(C(C(C5C2(C=C(C1=O)OC6C(C(C(C(O6)CO)O)O)O)C)O)O)C(=O)OC |
Product Overview
Bruceantinoside A (CAS 79439-85-3), with molecular formula C34H46O16 and molecular weight 710.27856 g/mol. IUPAC: methyl 3-(3,4-dimethylpent-2-enoyloxy)-15,16-dihydroxy-9,13-dimethyl-4,10-dioxo-11-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-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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