4-(3-Hydroxy-1-butyn-1-yl)-3,5,5-trimethyl-3-cyclohexen-1-yl β-D-glucopyranoside

CAS Registry Number®

62512-27-0

CAS Name

4-(3-Hydroxy-1-butyn-1-yl)-3,5,5-trimethyl-3-cyclohexen-1-yl β-D-glucopyranoside

Molecular Formula

C19H30O7

Molecular Mass

370.44

Cite this Page

4-(3-Hydroxy-1-butyn-1-yl)-3,5,5-trimethyl-3-cyclohexen-1-yl β-D-glucopyranoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=62512-27-0 (retrieved 2025-01-07) (CAS RN: 62512-27-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C19H30O7/c1-10-7-12(8-19(3,4)13(10)6-5-11(2)21)25-18-17(24)16(23)15(22)14(9-20)26-18/h11-12,14-18,20-24H,7-9H2,1-4H3/t11?,12?,14-,15-,16+,17-,18-/m1/s1

InChIKey

InChIKey=XIRQNNSWPUAAHR-KWEBYEANSA-N

SMILES

C(#CC(C)O)C=1C(C)(C)CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1C

Canonical SMILES

OCC1OC(OC2CC(=C(C#CC(O)C)C(C)(C)C2)C)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranoside, 4-(3-hydroxy-1-butyn-1-yl)-3,5,5-trimethyl-3-cyclohexen-1-yl
  • β-D-Glucopyranoside, 4-(3-hydroxy-1-butynyl)-3,5,5-trimethyl-3-cyclohexen-1-yl
  • 4-(3-Hydroxy-1-butyn-1-yl)-3,5,5-trimethyl-3-cyclohexen-1-yl β-D-glucopyranoside

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