Gaylussacin

CAS Registry Number®

38232-08-5
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CAS Name

Gaylussacin

Molecular Formula

C21H22O9

Molecular Mass

418.39

Cite this Page

Gaylussacin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=38232-08-5 (retrieved 2024-09-19) (CAS RN: 38232-08-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H22O9/c22-10-15-17(24)18(25)19(26)21(30-15)29-13-8-12(16(20(27)28)14(23)9-13)7-6-11-4-2-1-3-5-11/h1-9,15,17-19,21-26H,10H2,(H,27,28)/b7-6+/t15-,17-,18+,19-,21-/m1/s1

InChIKey

InChIKey=UPCRMPLOWXXPFK-BNVRZUOOSA-N

SMILES

C(=C/C1=CC=CC=C1)\C2=C(C(O)=O)C(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C2

Canonical SMILES

O=C(O)C1=C(O)C=C(OC2OC(CO)C(O)C(O)C2O)C=C1C=CC=3C=CC=CC3

Other Names for this Substance

  • Benzoic acid, 4-(β-D-glucopyranosyloxy)-2-hydroxy-6-[(1E)-2-phenylethenyl]-
  • Benzoic acid, 4-(β-D-glucopyranosyloxy)-2-hydroxy-6-(2-phenylethenyl)-, (E)-
  • 4-(β-D-Glucopyranosyloxy)-2-hydroxy-6-[(1E)-2-phenylethenyl]benzoic acid
  • Gaylussacin