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Substance Name: (-)-beta-Caryophyllene epoxide
RN: 1139-30-6
UNII: S2XU9K448U
InChIKey: NVEQFIOZRFFVFW-RGCMKSIDSA-N

Note

  • Has butyrylcholinesterase inhibitory activity.

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C15-H24-O

Molecular Weight

  • 220.3536
 
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Names and Synonyms

Name of Substance

  • (-)-beta-Caryophyllene epoxide

Synonyms

  • (-)-Epoxydihydrocaryophyllene
  • 4,11,11-Trimethyl-8-methylene-5-oxatricyclo(8.2.0.0(4,6))dodecane
  • 4,12,12-Trimethyl-9-methylene-5-oxatricyclo(8.2.0.04,6)dodecane, (1R,4R,6R,10S)-
  • 5-Oxatricyclo(8.2.0.0(4,6))dodecane, 4,12,12-trimethyl-9-methylene-, (1R,4R,6R,10S)-
  • beta-Caryophyllene epoxide
  • Caryophylene oxide
  • Caryophyllene epoxide
  • Caryophyllene oxide
  • EINECS 214-519-7
  • Epoxycaryophyllene
  • HSDB 5466
  • trans-Caryophyllene oxide
  • UNII-S2XU9K448U

Systematic Names

  • (1R-(1R*,4R*,6R*,10S*))-4,12,12-Trimethyl-9-methylene-5-oxatricyclo(8.2.0.04,6)dodecane
  • 5-Oxatricyclo(8.2.0.0(sup 4,6))dodecane, 4,12,12-trimethyl-9-methylene-, (1R,4R,6R,10S)-
  • 5-Oxatricyclo(8.2.0.04,6)dodecane, 4,12,12-trimethyl-9-methylene-, (1R,4R,6R,10S)-

Superlist Name

  • beta-Caryophyllene oxide

Registry Numbers

CAS Registry Number

  • 1139-30-6

FDA UNII

  • S2XU9K448U

Other Registry Numbers

  • 105120-46-5
  • 11023-55-5
  • 32095-03-7
  • 52209-95-7

System Generated Number

  • 0001139306

Structure Descriptors

InChI

1S/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3/t11-,12-,13-,15-/m1/s1

InChIKey

NVEQFIOZRFFVFW-RGCMKSIDSA-N

Smiles

C[C@@]12CC[C@@H]3[C@H](CC3(C)C)C(=C)CC[C@H]1O2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 2gm/kg (2000mg/kg)   Food and Chemical Toxicology. Vol. 21, Pg. 661, 1983.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 21, Pg. 661, 1983.