12-O-β-D-Glucopyranosyloxyjasmonic acid

CAS Registry Number®

120399-24-8
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CAS Name

12-O-β-D-Glucopyranosyloxyjasmonic acid

Molecular Formula

C18H28O9

Molecular Mass

388.41

Cite this Page

12-O-β-D-Glucopyranosyloxyjasmonic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=120399-24-8 (retrieved 2024-09-07) (CAS RN: 120399-24-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C18H28O9/c19-9-13-15(23)16(24)17(25)18(27-13)26-7-3-1-2-4-11-10(8-14(21)22)5-6-12(11)20/h1-2,10-11,13,15-19,23-25H,3-9H2,(H,21,22)/b2-1-/t10-,11-,13-,15-,16+,17-,18-/m1/s1

InChIKey

InChIKey=JFDNMLUPLXZXGV-RKAGECJXSA-N

SMILES

C(/C=C\CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]2[C@@H](CC(O)=O)CCC2=O

Canonical SMILES

O=C(O)CC1CCC(=O)C1CC=CCCOC2OC(CO)C(O)C(O)C2O

Other Names for this Substance

  • Cyclopentaneacetic acid, 2-[(2Z)-5-(β-D-glucopyranosyloxy)-2-penten-1-yl]-3-oxo-, (1R,2R)-
  • Cyclopentaneacetic acid, 2-[5-(β-D-glucopyranosyloxy)-2-pentenyl]-3-oxo-, [1R-[1α,2β(Z)]]-
  • Cyclopentaneacetic acid, 2-[(2Z)-5-(β-D-glucopyranosyloxy)-2-pentenyl]-3-oxo-, (1R,2R)-
  • (1R,2R)-2-[(2Z)-5-(β-D-Glucopyranosyloxy)-2-penten-1-yl]-3-oxocyclopentaneacetic acid
  • (-)-12-Hydroxyjasmonic acid glucoside

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Deleted or Replaced CAS Registry Numbers

1161442-22-3