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Substance Name: (-)-beta-Elemene
RN: 515-13-9
UNII: 2QG8CX6LXD
InChIKey: OPFTUNCRGUEPRZ-QLFBSQMISA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C15-H24

Molecular Weight

  • 204.3546
 
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Names and Synonyms

Results Name

  • (-)-beta-Elemene

Name of Substance

  • beta-Elemene

Synonyms

  • (-)-beta-Elemene
  • beta-Elemen
  • beta-Elemene, (-)-
  • Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, (1S-(1-alpha,2-beta,4-beta))-
  • Levo-beta-elemene
  • UNII-2QG8CX6LXD

Systematic Name

  • Cyclohexane, 2,4-diisopropenyl-1-methyl-1-vinyl-, (1S,2S,4R)-

Registry Numbers

CAS Registry Number

  • 515-13-9

FDA UNII

  • 2QG8CX6LXD

Other Registry Numbers

  • 11033-44-6
  • 154028-29-2
  • 20296-36-0

System Generated Number

  • 0000515139

Structure Descriptors

InChI

1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,13-14H,1-2,4,8-10H2,3,5-6H3/t13-,14+,15-/m1/s1

InChIKey

OPFTUNCRGUEPRZ-QLFBSQMISA-N

Smiles

CC(=C)[C@@H]1CC[C@@](C)(C=C)[C@@H](C1)C(=C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 279mg/kg (279mg/kg)   Zhongyao Tongbao. Bulletin of Chinese Materia Medica. Vol. 6(6), Pg. 32, 1981.
mouse LD50 intravenous 270mg/kg (270mg/kg)   Zhongguo Zhongliu Linchang. Chinese Journal of Clinical Oncology. Vol. 23, Pg. 453, 1996.
mouse LD50 oral > 5gm/kg (5000mg/kg)   Zhongguo Zhongliu Linchang. Chinese Journal of Clinical Oncology. Vol. 23, Pg. 453, 1996.