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Substance Name: Lupeol benzoate
RN: 1617-69-2
UNII: RL9B2A4AF1
InChIKey: GGGPJWXHMZSCEW-WEZIXBNWSA-N

Molecular Weight

  • 530.8316
 
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Names and Synonyms

Name of Substance

  • Lupeol benzoate

Synonyms

  • 3-O-Benzoyl-beta-lupeol
  • Lup-20(29)-en-3-ol, 3-benzoate, (3beta)-
  • Lup-20(29)-en-3-ol, benzoate, (3beta)-
  • Lup-20(29)-en-3beta-ol, benzoate
  • Lup-20(30)-en-3beta-ol, benzoate
  • Lupeol benzoate [MI]
  • NSC-1151
  • NSC-43869
  • UNII-RL9B2A4AF1

Registry Numbers

CAS Registry Number

  • 1617-69-2

FDA UNII

  • RL9B2A4AF1

System Generated Number

  • 0001617692

Structure Descriptors

InChI

1S/C37H54O2/c1-24(2)26-16-19-34(5)22-23-36(7)27(31(26)34)14-15-29-35(6)20-18-30(39-32(38)25-12-10-9-11-13-25)33(3,4)28(35)17-21-37(29,36)8/h9-13,26-31H,1,14-23H2,2-8H3/t26-,27+,28-,29+,30-,31+,34+,35-,36+,37+/m0/s1

InChIKey

GGGPJWXHMZSCEW-WEZIXBNWSA-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](OC(=O)c6ccccc6)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12