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Substance Name: Betulinic acid
RN: 472-15-1
UNII: 4G6A18707N
InChIKey: QGJZLNKBHJESQX-FZFNOLFKSA-N

Note

  • Isolated from bark of Eurya Japonica.

Molecular Formula

  • C30-H48-O3

Molecular Weight

  • 456.7062
 

Classification Codes

  • Analgesics
  • Analgesics, Non-Narcotic
  • Anti-HIV Agents
  • Anti-Infective Agents
  • Anti-Inflammatory Agents
  • Anti-Inflammatory Agents, Non-Steroidal
  • Anti-Retroviral Agents
  • Antimalarials
  • Antineoplastic Agents
  • Antineoplastic Agents, Phytogenic
  • Antiparasitic Agents
  • Antiprotozoal Agents
  • Antirheumatic Agents
  • Antiviral Agents
  • Hormone Antagonists
  • Hormones, Hormone Substitutes, and Hormone Antagonists
  • Peripheral Nervous System Agents
  • Prostaglandin Antagonists
  • Sensory System Agents
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Names and Synonyms

Name of Substance

  • Betulinic acid

Synonyms

  • Betulinic acid
  • CCRIS 6748
  • EINECS 207-448-8
  • Mairin
  • NSC 113090
  • NSC 677578
  • UNII-4G6A18707N

Systematic Names

  • 3-Hydroxylup-20(29)-en-28-oic acid
  • Betulinic acid
  • Lup-20(29)-en-28-oic acid, 3-hydroxy-, (3beta)-
  • Lup-20(29)-en-28-oic acid, 3beta-hydroxy- (8CI)

Registry Numbers

CAS Registry Number

  • 472-15-1

FDA UNII

  • 4G6A18707N

System Generated Number

  • 0000472151

Structure Descriptors

InChI

1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1

InChIKey

QGJZLNKBHJESQX-FZFNOLFKSA-N

Smiles

CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C(=O)O