CAS Registry Number®
78281-02-4
CAS Name
Hydroxysafflor yellow A
Molecular Formula
C27H32O16
Molecular Mass
612.53
Compound Properties
-
Melting Point (1)
184-186 °C
Source(s)
- (1) Zhang, Ge; Chemistry of Natural Compounds, (2009), 45(3), 398-401, CAplus
Other Names and Identifiers
InChI
InChI=1S/C27H32O16/c28-7-12-16(32)19(35)21(37)23(42-12)15-18(34)14(11(31)6-3-9-1-4-10(30)5-2-9)24(39)27(41,25(15)40)26-22(38)20(36)17(33)13(8-29)43-26/h1-6,12-13,16-17,19-23,26,28-30,32-33,35-41H,7-8H2/b6-3+/t12-,13-,16-,17-,19+,20+,21-,22-,23+,26-,27?/m1/s1
InChIKey
InChIKey=LIPJRCGLQNIXGO-ONZBGLOFSA-N
SMILES
OC1(C(O)=C(C(=O)C(C(/C=C/C2=CC=C(O)C=C2)=O)=C1O)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O
Canonical SMILES
O=C(C=CC1=CC=C(O)C=C1)C=2C(=O)C(=C(O)C(O)(C2O)C3OC(CO)C(O)C(O)C3O)C4OC(CO)C(O)C(O)C4O
Other Names for this Substance
- 2,5-Cyclohexadien-1-one, 2,4-di-β-D-glucopyranosyl-3,4,5-trihydroxy-6-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-
- 2,5-Cyclohexadien-1-one, 2,4-di-β-D-glucopyranosyl-3,4,5-trihydroxy-6-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-
- 2,4-Di-β-D-glucopyranosyl-3,4,5-trihydroxy-6-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-2,5-cyclohexadien-1-one
- Safflomin A
- Hydroxysafflor yellow A
- HSYA
Deleted or Replaced CAS Registry Numbers
146087-19-6, 664361-78-8
