D-Glucose, 3-(3,4,5-trihydroxybenzoate), cyclic 4→1:6→2-ester with (1S)-1-(6-carboxy-2,3,4-trihydroxyphenyl)-4,6,7,8-tetrahydroxydibenzo[b,e][1,4]dioxin-2-carboxylic acid

CAS Registry Number®

185424-97-9

CAS Name

D-Glucose, 3-(3,4,5-trihydroxybenzoate), cyclic 4→1:6→2-ester with (1S)-1-(6-carboxy-2,3,4-trihydroxyphenyl)-4,6,7,8-tetrahydroxydibenzo[b,e][1,4]dioxin-2-carboxylic acid

Molecular Formula

C33H24O21

Molecular Mass

756.53

Cite this Page

D-Glucose, 3-(3,4,5-trihydroxybenzoate), cyclic 4→1:6→2-ester with (1S)-1-(6-carboxy-2,3,4-trihydroxyphenyl)-4,6,7,8-tetrahydroxydibenzo[b,e][1,4]dioxin-2-carboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=185424-97-9 (retrieved 2025-01-07) (CAS RN: 185424-97-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C33H24O21/c34-6-16(40)27(53-31(47)8-1-11(35)21(42)12(36)2-8)28-17(41)7-50-32(48)10-4-15(39)26-30(51-18-5-14(38)23(44)25(46)29(18)52-26)20(10)19-9(33(49)54-28)3-13(37)22(43)24(19)45/h1-6,16-17,27-28,35-46H,7H2

InChIKey

InChIKey=ZIWUSEBLXCYTOC-UHFFFAOYSA-N

SMILES

OC1=C2C=3C4=C(OC=5C(O4)=CC(O)=C(O)C5O)C(O)=CC3C(=O)OCC(O)C(C(OC(=O)C6=CC(O)=C(O)C(O)=C6)C(C=O)O)OC(=O)C2=CC(O)=C1O

Canonical SMILES

O=CC(O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C2OC(=O)C=3C=C(O)C(O)=C(O)C3C4=C5OC6=CC(O)=C(O)C(O)=C6OC5=C(O)C=C4C(=O)OCC2O

Other Names for this Substance

  • D-Glucose, 3-(3,4,5-trihydroxybenzoate), cyclic 4→1:6→2-ester with (1S)-1-(6-carboxy-2,3,4-trihydroxyphenyl)-4,6,7,8-tetrahydroxydibenzo[b,e][1,4]dioxin-2-carboxylic acid
  • D-Glucose, 3-(3,4,5-trihydroxybenzoate), cyclic 4→1:6→2-ester with (S)-1-(6-carboxy-2,3,4-trihydroxyphenyl)-4,6,7,8-tetrahydroxydibenzo[b,e][1,4]dioxin-2-carboxylic acid
  • Syzyginin B

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