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Substance Name: Lupeol
RN: 545-47-1
UNII: O268W13H3O
InChIKey: MQYXUWHLBZFQQO-QGTGJCAVSA-N

Classification Codes

  • Anti-Inflammatory Agents
  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C30-H50-O

Molecular Weight

  • 426.724
 
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Names and Synonyms

Name of Substance

  • Lupeol

Synonyms

  • (3-beta)-Lup-20(29)-en-3-ol
  • beta-Viscol
  • Clerodol
  • EINECS 208-889-9
  • Fagarasterol
  • Fagarsterol
  • HSDB 7687
  • Lupenol
  • Lupeol
  • Monogynol B (6CI)
  • NSC 90487
  • Triterpene lupeol
  • UNII-O268W13H3O

Systematic Names

  • Lup-20(29)-en-3-beta-ol (8CI)
  • Lup-20(29)-en-3-ol, (3-beta)-
  • Lup-20(29)-en-3-ol, (3beta)-
  • Lup-20(29)-en-3beta-ol (8CI)

Registry Numbers

CAS Registry Number

  • 545-47-1

FDA UNII

  • O268W13H3O

System Generated Number

  • 0000545471

Structure Descriptors

InChI

1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25+,27+,28-,29+,30+/m0/s1

InChIKey

MQYXUWHLBZFQQO-QGTGJCAVSA-N

Smiles

CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 2gm/kg (2000mg/kg)   Fitoterapia. Vol. 68, Pg. 9, 1997.
rat LD50 oral > 2gm/kg (2000mg/kg)   Fitoterapia. Vol. 68, Pg. 9, 1997.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 216 deg C   EXP
log P (octanol-water) 9.230 (none)   EST
Atmospheric OH Rate Constant 9.11E-11 cm3/molecule-sec 25 EST

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