Ligustilide

CAS Registry Number®

4431-01-0

CAS Name

Ligustilide

Molecular Formula

C12H14O2

Molecular Mass

190.24

Cite this Page

Ligustilide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4431-01-0 (retrieved 2024-11-21) (CAS RN: 4431-01-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h5,7-8H,2-4,6H2,1H3

InChIKey

InChIKey=IQVQXVFMNOFTMU-UHFFFAOYSA-N

SMILES

C(CCC)=C1C2=C(C(=O)O1)C=CCC2

Canonical SMILES

O=C1OC(=CCCC)C2=C1C=CCC2

Other Names for this Substance

  • 1(3H)-Isobenzofuranone, 3-butylidene-4,5-dihydro-
  • 1,5-Cyclohexadiene-1-carboxylic acid, 2-(1-hydroxy-1-pentenyl)-, γ-lactone
  • Ligustilide
  • Phthalide, 3-butylidene-4,5-dihydro-
  • 3-Butylidene-4,5-dihydro-1(3H)-isobenzofuranone

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration