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Substance Name: Dillenic acid A
RN: 159359-62-3
InChIKey: NBVTUOKZVAKXHI-AVNWLYLOSA-N

Note

  • Isolated from Dillenia papuana.

Molecular Weight

  • 470.689
 
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Names and Synonyms

Name of Substance

  • Dillenic acid A

Synonym

  • 2-Hydroxy-3-oxoolean-12-en-30-oic acid

Systematic Name

  • Olean-12-en-29-oic acid, 2-hydroxy-3-oxo-, (2alpha,20beta)-

Registry Numbers

CAS Registry Number

  • 159359-62-3

System Generated Number

  • 0159359623

Structure Descriptors

InChI

1S/C30H46O4/c1-25(2)21-10-11-30(7)22(28(21,5)17-20(31)23(25)32)9-8-18-19-16-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h8,19-22,31H,9-17H2,1-7H3,(H,33,34)/t19-,20-,21?,22-,26-,27-,28+,29-,30-/m1/s1

InChIKey

NBVTUOKZVAKXHI-AVNWLYLOSA-N

Smiles

C1([C@@H](C[C@@]2([C@H]3CC=C4[C@H]5C[C@](CC[C@@]5(CC[C@@]4([C@@]3(CC[C@@H]2C1(C)C)C)C)C)(C)C(=O)O)C)O)=O