Safflor yellow B

CAS Registry Number®

91574-92-4

CAS Name

Safflor yellow B

Molecular Formula

C48H54O27

Molecular Mass

1062.93

Cite this Page

Safflor yellow B.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=91574-92-4 (retrieved 2024-11-22) (CAS RN: 91574-92-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C48H54O27/c49-13-22(56)30(57)36(63)35(62)27(28-33(60)25(20(54)11-5-16-1-7-18(52)8-2-16)41(68)47(72,43(28)70)45-39(66)37(64)31(58)23(14-50)74-45)29-34(61)26(21(55)12-6-17-3-9-19(53)10-4-17)42(69)48(73,44(29)71)46-40(67)38(65)32(59)24(15-51)75-46/h1-12,22-24,27,30-32,35-40,45-46,49-53,56-59,62-73H,13-15H2

InChIKey

InChIKey=WBKUQZJRZIYAJL-UHFFFAOYSA-N

SMILES

C(C(C(C(C(CO)O)O)O)O)(C1=C(O)C(O)(C(O)=C(C(C=CC2=CC=C(O)C=C2)=O)C1=O)C3OC(CO)C(O)C(O)C3O)C4=C(O)C(O)(C(O)=C(C(C=CC5=CC=C(O)C=C5)=O)C4=O)C6OC(CO)C(O)C(O)C6O

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)C(C=4C(=O)C(C(=O)C=CC5=CC=C(O)C=C5)=C(O)C(O)(C4O)C6OC(CO)C(O)C(O)C6O)C(O)C(O)C(O)C(O)CO

Other Names for this Substance

  • D-Glucitol, 1-deoxy-1,1-bis[3-β-D-glucopyranosyl-2,3,4-trihydroxy-5-[3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-6-oxo-1,4-cyclohexadien-1-yl]-
  • D-Glucitol, 1-deoxy-1,1-bis[3-β-D-glucopyranosyl-2,3,4-trihydroxy-5-[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-6-oxo-1,4-cyclohexadien-1-yl]-
  • 1-Deoxy-1,1-bis[3-β-D-glucopyranosyl-2,3,4-trihydroxy-5-[3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-6-oxo-1,4-cyclohexadien-1-yl]-D-glucitol
  • Safflor yellow B
  • Safflower yellow B

View All

Deleted or Replaced CAS Registry Numbers

120478-62-8

CAS INSIGHTSTM
Targeted protein degrader structure, illustration