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Substance Name: Isothujone, (-)-
RN: 33766-30-2
UNII: 0871SY94RA
InChIKey: USMNOWBWPHYOEA-KHQFGBGNSA-N

Molecular Formula

  • C10-H16-O

Molecular Weight

  • 152.2354
 
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Names and Synonyms

Name of Substance

  • Isothujone, (-)-

Synonyms

  • (-)-beta-Thujone
  • (-)-Isothujone
  • Bicyclo(3.1.0)hexan-3-one, 4-methyl-1-(1-methylethyl)-, (1R,4R,5S)-
  • Isothujone, (-)-
  • trans-Thujone
  • UNII-0871SY94RA

Registry Numbers

CAS Registry Number

  • 33766-30-2

FDA UNII

  • 0871SY94RA

System Generated Number

  • 0033766302

Structure Descriptors

InChI

1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7-,8+,10-/m1/s1

InChIKey

USMNOWBWPHYOEA-KHQFGBGNSA-N

Smiles

CC(C)[C@]12C[C@H]1[C@@H](C)C(=O)C2