(3E)-4-[(1R,2S,4S)-4-(β-D-Glucopyranosyloxy)-1,2-dihydroxy-2,6,6-trimethylcyclohexyl]-3-buten-2-one

CAS Registry Number®

371113-06-3

CAS Name

(3E)-4-[(1R,2S,4S)-4-(β-D-Glucopyranosyloxy)-1,2-dihydroxy-2,6,6-trimethylcyclohexyl]-3-buten-2-one

Molecular Formula

C19H32O9

Molecular Mass

404.45

Cite this Page

(3E)-4-[(1R,2S,4S)-4-(β-D-Glucopyranosyloxy)-1,2-dihydroxy-2,6,6-trimethylcyclohexyl]-3-buten-2-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=371113-06-3 (retrieved 2024-11-08) (CAS RN: 371113-06-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C19H32O9/c1-10(21)5-6-19(26)17(2,3)7-11(8-18(19,4)25)27-16-15(24)14(23)13(22)12(9-20)28-16/h5-6,11-16,20,22-26H,7-9H2,1-4H3/b6-5+/t11-,12+,13+,14-,15+,16+,18-,19+/m0/s1

InChIKey

InChIKey=PASRVRCWYGWSDQ-FBOCVPDYSA-N

SMILES

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

Canonical SMILES

O=C(C=CC1(O)C(O)(C)CC(OC2OC(CO)C(O)C(O)C2O)CC1(C)C)C

Other Names for this Substance

  • 3-Buten-2-one, 4-[(1R,2S,4S)-4-(β-D-glucopyranosyloxy)-1,2-dihydroxy-2,6,6-trimethylcyclohexyl]-, (3E)-
  • (3E)-4-[(1R,2S,4S)-4-(β-D-Glucopyranosyloxy)-1,2-dihydroxy-2,6,6-trimethylcyclohexyl]-3-buten-2-one
  • Pisumionoside

CAS INSIGHTSTM
Abstract Background of Blurry Golden Particles