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Substance Name: Dillenic acid B
RN: 159359-63-4
InChIKey: WOKFCRPNGIVPEZ-RYBKRTJCSA-N

Note

  • Isolated from Dillenia papuana.

Molecular Weight

  • 470.689
 
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Names and Synonyms

Name of Substance

  • Dillenic acid B

Synonyms

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 159359-63-4

System Generated Number

  • 0159359634

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/h8,19,21-23,32H,9-17H2,1-7H3,(H,33,34)/t19-,21?,22-,23+,26-,27-,28+,29-,30-/m1/s1

InChIKey

WOKFCRPNGIVPEZ-RYBKRTJCSA-N

Smiles

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