Anhydrosafflor yellow B

CAS Registry Number®

184840-84-4

CAS Name

Anhydrosafflor yellow B

Molecular Formula

C48H52O26

Molecular Mass

1044.91

Cite this Page

Anhydrosafflor yellow B.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=184840-84-4 (retrieved 2024-11-12) (CAS RN: 184840-84-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C48H52O26/c49-13-22(56)30(57)37(64)40-27(28-33(60)25(20(54)11-5-16-1-7-18(52)8-2-16)41(67)47(70,43(28)69)45-38(65)35(62)31(58)23(14-50)72-45)29-34(61)26(21(55)12-6-17-3-9-19(53)10-4-17)42(68)48(71,44(29)74-40)46-39(66)36(63)32(59)24(15-51)73-46/h1-12,22-24,27,30-32,35-40,45-46,49-53,56-59,62-71H,13-15H2/b11-5+,12-6+/t22-,23-,24-,27+,30-,31-,32-,35+,36+,37+,38-,39-,40+,45-,46-,47?,48?/m1/s1

InChIKey

InChIKey=LBOXAMKXVULZTI-UVUIAZFCSA-N

SMILES

[C@@H]([C@@H]([C@@H](CO)O)O)(O)[C@@]1([C@H](C2=C(O1)[C@](O)(C(O)=C(C(/C=C/C3=CC=C(O)C=C3)=O)C2=O)[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C5=C(O)[C@@](O)(C(O)=C(C(/C=C/C6=CC=C(O)C=C6)=O)C5=O)[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[H]

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)C4C=5C(=O)C(C(=O)C=CC6=CC=C(O)C=C6)=C(O)C(O)(C5OC4C(O)C(O)C(O)CO)C7OC(CO)C(O)C(O)C7O

Other Names for this Substance

  • 4(2H)-Benzofuranone, 7-β-D-glucopyranosyl-3-[3-β-D-glucopyranosyl-2,3,4-trihydroxy-5-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-6-oxo-1,4-cyclohexadien-1-yl]-3,7-dihydro-6,7-dihydroxy-5-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]-, (2S,3S)-
  • 4(2H)-Benzofuranone, 7-β-D-glucopyranosyl-3-[3-β-D-glucopyranosyl-2,3,4-trihydroxy-5-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-6-oxo-1,4-cyclohexadien-1-yl]-3,7-dihydro-6,7-dihydroxy-5-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]-, [2S-(2α,3β)]-[partial]-
  • (2S,3S)-7-β-D-Glucopyranosyl-3-[3-β-D-glucopyranosyl-2,3,4-trihydroxy-5-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-6-oxo-1,4-cyclohexadien-1-yl]-3,7-dihydro-6,7-dihydroxy-5-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]-4(2H)-benzofuranone
  • Anhydrosafflor yellow B
  • AHSYB

CAS INSIGHTSTM
Abstract Background of Blurry Golden Particles