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Substance Name: Thujopsene
RN: 470-40-6
UNII: E116U47P7N
InChIKey: WXQGPFZDVCRBME-QEJZJMRPSA-N

Note

  • From cell suspension culture of Caragana chamlagu.

Molecular Formula

  • C15-H24

Molecular Weight

  • 204.3546
 
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Names and Synonyms

Name of Substance

  • Thujopsene

Synonyms

  • EINECS 207-426-8
  • NSC 44707
  • Sesquichamene
  • Thujopsene, (-)-
  • UNII-E116U47P7N
  • WIDDRENE

Systematic Names

  • (1AS-(1aalpha,4abeta,8aR*))-1,1a,4,4a,5,6,7,8-octahydro-2,4a,8,8-tetramethylcyclopropa(d)naphthalene
  • Cyclopropa(d)naphthalene, 1,1a,4,4a,5,6,7,8-octahydro-2,4a,8,8-tetramethyl-, (1aS,4aS,8aS)-

Registry Numbers

CAS Registry Number

  • 470-40-6

FDA UNII

  • E116U47P7N

System Generated Number

  • 0000470406

Structure Descriptors

InChI

InChI=1S/C15H24/c1-11-6-9-14(4)8-5-7-13(2,3)15(14)10-12(11)15/h6,12H,5,7-10H2,1-4H3/t12-,14-,15-/m0/s1

InChIKey

WXQGPFZDVCRBME-QEJZJMRPSA-N

Smiles

CC1=CC[C@]2(C)CCCC(C)(C)[C@@]23C[C@@H]13

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point < 25 deg C   EXP
log P (octanol-water) 6.120 (none)   EST
Atmospheric OH Rate Constant 9.30E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.