Hydroxysafflor yellow A

CAS Registry Number®

78281-02-4
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CAS Name

Hydroxysafflor yellow A

Molecular Formula

C27H32O16

Molecular Mass

612.53

Cite this Page

Hydroxysafflor yellow A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=78281-02-4 (retrieved 2024-04-29) (CAS RN: 78281-02-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    184-186 °C

Source(s)

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

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Deleted or Replaced CAS Registry Numbers

146087-19-6, 664361-78-8

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