4-Hydroxy-3,3,5-trimethyl-4-[3-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]-1-buten-1-yl]cyclohexanone

CAS Registry Number®

142235-28-7

CAS Name

4-Hydroxy-3,3,5-trimethyl-4-[3-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]-1-buten-1-yl]cyclohexanone

Molecular Formula

C27H40O12

Molecular Mass

556.60

Cite this Page

4-Hydroxy-3,3,5-trimethyl-4-[3-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]-1-buten-1-yl]cyclohexanone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=142235-28-7 (retrieved 2024-11-24) (CAS RN: 142235-28-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H40O12/c1-14-11-20(32)12-26(7,8)27(14,33)10-9-15(2)35-25-24(38-19(6)31)23(37-18(5)30)22(36-17(4)29)21(39-25)13-34-16(3)28/h9-10,14-15,21-25,33H,11-13H2,1-8H3/t14?,15?,21-,22-,23+,24-,25-,27?/m1/s1

InChIKey

InChIKey=BXWPAKVGNVBYDJ-JAISQJHTSA-N

SMILES

O(C(C)=O)[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1OC(C=CC2(O)C(C)(C)CC(=O)CC2C)C

Canonical SMILES

O=C(OCC1OC(OC(C=CC2(O)C(C)CC(=O)CC2(C)C)C)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)C

Other Names for this Substance

  • Cyclohexanone, 4-hydroxy-3,3,5-trimethyl-4-[3-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]-1-buten-1-yl]-
  • Cyclohexanone, 4-hydroxy-3,3,5-trimethyl-4-[3-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]-1-butenyl]-
  • 4-Hydroxy-3,3,5-trimethyl-4-[3-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]-1-buten-1-yl]cyclohexanone