harpagoside [M+H]+
[4a,5-dihydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] (E)-3-phenylprop-2-enoate
Also Known As: Harpagoside|harpagoside [M+H]+|[4a,5-dihydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] (E)-3-phenylprop-2-enoate
CAS: 19210-12-9
| Molecular Formula | C24H30O11 |
|---|---|
| Molecular Weight | 494.1788 g/mol |
| LogP | -1.1999 |
| Topological Polar Surface Area | 175.37 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 494.1788 |
| Monoisotopic Mass | 494.1788 |
| Heavy Atoms | 35 |
| Complexity | 950.0486 |
Chemical Identifiers
| CAS Number | 19210-12-9 |
|---|---|
| SMILES | CC1(CC(C2(C1C(OC=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O)OC(=O)/C=C/C4=CC=CC=C4 |
Product Overview
harpagoside [M+H]+ (CAS 19210-12-9), with molecular formula C24H30O11 and molecular weight 494.1788 g/mol. IUPAC: [4a,5-dihydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] (E)-3-phenylprop-2-enoate.
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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