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Substance Name: 3-Hydroxy-(28-4-coumaroyloxy)lup-20(29)-en-27-oic acid
RN: 85540-98-3
InChIKey: JCJRDRGIXVRCJM-KMLNKWDKSA-N

Note

  • From stem bark & twigs of Caraipa densifolia Mart. (Theaceae).

Molecular Weight

  • 618.85
 
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Names and Synonyms

Name of Substance

  • 3-Hydroxy-(28-4-coumaroyloxy)lup-20(29)-en-27-oic acid

Synonym

  • HCOLA

Systematic Name

  • Lup-20(29)-en-27-oic acid, 3-hydroxy-28-((3-(4-hydroxyphenyl)-1-oxo-2-propenyl)oxy)-, (3beta)-

Registry Numbers

CAS Registry Number

  • 85540-98-3

System Generated Number

  • 0085540983

Structure Descriptors

InChI

1S/C39H54O6/c1-24(2)27-15-20-38(23-45-32(42)14-9-25-7-10-26(40)11-8-25)21-22-39(34(43)44)28(33(27)38)12-13-30-36(5)18-17-31(41)35(3,4)29(36)16-19-37(30,39)6/h7-11,14,27-31,33,40-41H,1,12-13,15-23H2,2-6H3,(H,43,44)/b14-9+/t27-,28+,29-,30+,31-,33+,36-,37+,38+,39+/m0/s1

InChIKey

JCJRDRGIXVRCJM-KMLNKWDKSA-N

Smiles

C1[C@@H](C(C)(C)[C@@H]2CC[C@@]3(C)[C@]4(C(=O)O)CC[C@@]5(COC(\C=C\c6ccc(cc6)O)=O)CC[C@H](C(=C)C)[C@H]5[C@H]4CC[C@H]3[C@@]2(C1)C)O