Safflor Yellow A
3,4,6,9-tetrahydroxy-2-(hydroxymethyl)-8-[3-(4-hydroxyphenyl)prop-2-enoyl]-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4,4a,9b-tetrahydro-2H-pyrano[3,2-b][1]benzofuran-7-one
Also Known As: Safflor Yellow A
CAS: 85532-77-0
| Molecular Formula | C27H30O15 |
|---|---|
| Molecular Weight | 594.15845 g/mol |
| LogP | -3.9228 |
| Topological Polar Surface Area | 264.13 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 6 |
| Exact Mass | 594.15845 |
| Monoisotopic Mass | 594.15845 |
| Heavy Atoms | 42 |
| Complexity | 1333.2402 |
Chemical Identifiers
| CAS Number | 85532-77-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C=CC(=O)C2=C(C3=C(C(C2=O)([C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)OC5C3OC(C(C5O)O)CO)O)O |
Product Overview
Safflor Yellow A (CAS 85532-77-0), with molecular formula C27H30O15 and molecular weight 594.15845 g/mol. IUPAC: 3,4,6,9-tetrahydroxy-2-(hydroxymethyl)-8-[3-(4-hydroxyphenyl)prop-2-enoyl]-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4,4a,9b-tetrahydro-2H-pyrano[3,2-b][1]benzofuran-7-one.
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.
View MSDS →
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