(4S)-4-[(1E,3E)-5-(β-D-Glucopyranosyloxy)-3-methyl-1,3-pentadien-1-yl]-4-hydroxy-3,5,5-trimethyl-2-cyclohexen-1-one

CAS Registry Number®

145153-00-0

CAS Name

(4S)-4-[(1E,3E)-5-(β-D-Glucopyranosyloxy)-3-methyl-1,3-pentadien-1-yl]-4-hydroxy-3,5,5-trimethyl-2-cyclohexen-1-one

Molecular Formula

C21H32O8

Molecular Mass

412.47

Cite this Page

(4S)-4-[(1E,3E)-5-(β-D-Glucopyranosyloxy)-3-methyl-1,3-pentadien-1-yl]-4-hydroxy-3,5,5-trimethyl-2-cyclohexen-1-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=145153-00-0 (retrieved 2024-11-12) (CAS RN: 145153-00-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H32O8/c1-12(5-7-21(27)13(2)9-14(23)10-20(21,3)4)6-8-28-19-18(26)17(25)16(24)15(11-22)29-19/h5-7,9,15-19,22,24-27H,8,10-11H2,1-4H3/b7-5+,12-6+/t15-,16-,17+,18-,19-,21-/m1/s1

InChIKey

InChIKey=PMGQCIZHFNQTAO-LWJKYDNQSA-N

SMILES

C(=C/C(=C/CO[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)/C)\[C@]2(O)C(C)(C)CC(=O)C=C2C

Canonical SMILES

O=C1C=C(C)C(O)(C=CC(=CCOC2OC(CO)C(O)C(O)C2O)C)C(C)(C)C1

Other Names for this Substance

  • 2-Cyclohexen-1-one, 4-[(1E,3E)-5-(β-D-glucopyranosyloxy)-3-methyl-1,3-pentadien-1-yl]-4-hydroxy-3,5,5-trimethyl-, (4S)-
  • 2-Cyclohexen-1-one, 4-[5-(β-D-glucopyranosyloxy)-3-methyl-1,3-pentadienyl]-4-hydroxy-3,5,5-trimethyl-, [S-(E,E)]-
  • (4S)-4-[(1E,3E)-5-(β-D-Glucopyranosyloxy)-3-methyl-1,3-pentadien-1-yl]-4-hydroxy-3,5,5-trimethyl-2-cyclohexen-1-one
  • Abscisic alcohol 11-glucoside

Deleted or Replaced CAS Registry Numbers

1191255-23-8

CAS INSIGHTSTM
Abstract Background of Blurry Golden Particles