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Substance Name: Ursolic acid
RN: 77-52-1
UNII: P3M2575F3F
InChIKey: WCGUUGGRBIKTOS-GPOJBZKASA-N

Molecular Formula

  • C30-H48-O3

Molecular Weight

  • 456.706
 

Classification Codes

  • Analgesics
  • Analgesics, Non-Narcotic
  • Anti-Infective Agents
  • Anti-Inflammatory Agents
  • Anti-Inflammatory Agents, Non-Steroidal
  • Antineoplastic Agents
  • Antineoplastic Agents, Phytogenic
  • Antirheumatic Agents
  • Cyclooxygenase Inhibitors
  • Enzyme Inhibitors
  • Peripheral Nervous System Agents
  • Sensory System Agents
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Names and Synonyms

Name of Substance

  • Ursolic acid

Synonyms

  • AI3-03109
  • CCRIS 7123
  • EINECS 201-034-0
  • HSDB 7685
  • Malol
  • NSC 167406
  • NSC 4060
  • Prunol
  • UNII-P3M2575F3F
  • Ursolic acid
  • Urson

Systematic Names

  • (3beta)-3-Hydroxyurs-12-en-28-oic acid
  • 3beta-Hydroxyurs-12-en-28-oic acid
  • Urs-12-en-28-oic acid, 3-hydroxy-, (3beta)-
  • Urs-12-en-28-oic acid, 3beta-hydroxy- (8CI)
  • Ursolic acid

Registry Numbers

CAS Registry Number

  • 77-52-1

FDA UNII

  • P3M2575F3F

Other Registry Number

  • 209545-05-1

System Generated Number

  • 0000077521

Structure Descriptors

InChI

1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1

InChIKey

WCGUUGGRBIKTOS-GPOJBZKASA-N

Smiles

C1[C@@]2([C@@H]3[C@@](CC[C@H]2C(C)([C@H](C1)O)C)([C@@]1(C(=CC3)[C@H]2[C@@](CC1)(CC[C@H]([C@@H]2C)C)C(O)=O)C)C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 284 deg C   EXP
log P (octanol-water) 7.920 (none)   EST
Atmospheric OH Rate Constant 1.27E-10 cm3/molecule-sec 25 EST

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