4-[3-(β-D-Glucopyranosyloxy)butyl]-3-(hydroxymethyl)-5,5-dimethyl-2-cyclohexen-1-one

CAS Registry Number®

188305-07-9
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CAS Name

4-[3-(β-D-Glucopyranosyloxy)butyl]-3-(hydroxymethyl)-5,5-dimethyl-2-cyclohexen-1-one

Molecular Formula

C19H32O8

Molecular Mass

388.45

Cite this Page

4-[3-(β-D-Glucopyranosyloxy)butyl]-3-(hydroxymethyl)-5,5-dimethyl-2-cyclohexen-1-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=188305-07-9 (retrieved 2024-09-19) (CAS RN: 188305-07-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C19H32O8/c1-10(26-18-17(25)16(24)15(23)14(9-21)27-18)4-5-13-11(8-20)6-12(22)7-19(13,2)3/h6,10,13-18,20-21,23-25H,4-5,7-9H2,1-3H3/t10?,13?,14-,15-,16+,17-,18-/m1/s1

InChIKey

InChIKey=ZZFQYZCZBBRLTI-LIUPNJPFSA-N

SMILES

C(CC(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C)C2C(CO)=CC(=O)CC2(C)C

Canonical SMILES

O=C1C=C(CO)C(CCC(OC2OC(CO)C(O)C(O)C2O)C)C(C)(C)C1

Other Names for this Substance

  • 2-Cyclohexen-1-one, 4-[3-(β-D-glucopyranosyloxy)butyl]-3-(hydroxymethyl)-5,5-dimethyl-
  • 4-[3-(β-D-Glucopyranosyloxy)butyl]-3-(hydroxymethyl)-5,5-dimethyl-2-cyclohexen-1-one