Chemical Compound

Theonellin isocyanate

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Theonellin isocyanate chemical structure
Primary Record

Theonellin isocyanate

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
57381957
SMILES
CC(C)/C=C/C=C(\C)/C1CCC(CC1)(C)N=C=O
Canonical SMILES
C/C(=C\C=C\C(C)C)C1CCC(C)(N=C=O)CC1

Names & Synonyms

  • Theonellin isocyanate
  • sesquiterpene theonellin isocyanate
  • J3.046.326I
  • (1r,4r)-1-isocyanato-1-methyl-4-[(2E,4E)-6-methylhepta-2,4-dien-2-yl]cyclohexane
  • [1-Methyl-4alpha-[(1E,3E)-1,5-dimethyl-1,3-hexadienyl]cyclohexane-1beta-yl] isocyanate