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Substance Name: 2alpha,3beta,20beta-Urs-delta 12-ene-23beta,28-dioic acid 2,3-diacetate
RN: 79679-46-2
InChIKey: FPOJHWIUZUDFHZ-ZBEAUVLGSA-N

Note

  • Triterpenic acid isolated from Corchorus depressus L. (Tiliaceae) with antipyretic & analgesic (non-narcotic) properties.

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C34-H50-O8

Molecular Weight

  • 586.761
 
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Names and Synonyms

Name of Substance

  • 2alpha,3beta,20beta-Urs-delta 12-ene-23beta,28-dioic acid 2,3-diacetate

Systematic Name

  • Urs-12-ene-23,28-dioic acid, 2,3-bis(acetyloxy)-, (2-alpha,3-beta,4-beta,20-beta)-

Registry Numbers

CAS Registry Number

  • 79679-46-2

System Generated Number

  • 0079679462

Structure Descriptors

InChI

1S/C34H50O8/c1-18-11-14-34(29(39)40)16-15-31(6)22(26(34)19(18)2)9-10-24-30(5)17-23(41-20(3)35)27(42-21(4)36)33(8,28(37)38)25(30)12-13-32(24,31)7/h9,18-19,23-27H,10-17H2,1-8H3,(H,37,38)(H,39,40)/t18-,19-,23+,24+,25+,26-,27-,30+,31+,32+,33+,34-/m0/s1

InChIKey

FPOJHWIUZUDFHZ-ZBEAUVLGSA-N

Smiles

C1[C@H]([C@H](OC(C)=O)[C@](C)(C(O)=O)[C@H]2[C@@]1(C)[C@H]1CC=C3[C@@]([C@]1(C)CC2)(CC[C@@]1(CC[C@@H]([C@@H](C)[C@@H]31)C)C(O)=O)C)OC(C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 800mg/kg (800mg/kg)   Journal of Ethnopharmacology. Vol. 4, Pg. 223, 1981.