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Substance Name: Arjunolic acid
RN: 465-00-9
InChIKey: RWNHLTKFBKYDOJ-DDHMHSPCSA-N

Note

  • Oleanane type; isol from Cochlospermum tinctorium (Bixaceae).

Molecular Formula

  • C30-H48-O5

Molecular Weight

  • 488.704
 
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Names and Synonyms

Name of Substance

  • Arjunolic acid

Synonyms

  • 2,3,23-Trihydroxyolean-12-en-28-oic acid
  • Arjunolic acid

Systematic Name

  • Olean-12-en-28-oic acid, 2,3,23-trihydroxy-, (2alpha,3beta,4alpha)-

Registry Numbers

CAS Registry Number

  • 465-00-9

System Generated Number

  • 0000465009

Structure Descriptors

InChI

1S/C30H48O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-22-26(3)16-20(32)23(33)27(4,17-31)21(26)9-10-29(22,28)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20+,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1

InChIKey

RWNHLTKFBKYDOJ-DDHMHSPCSA-N

Smiles

C1=2[C@H]3[C@](C(=O)O)(CCC(C3)(C)C)CC[C@@]1(C)[C@@]1([C@@H]([C@@]3([C@H]([C@@](CO)(C)[C@H]([C@@H](C3)O)O)CC1)C)CC2)C