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Substance Name: Jacarandic acid
RN: 13850-16-3
InChIKey: OXVUXGFZHDKYLS-BLIWDXROSA-N

Molecular Formula

  • C30-H48-O5

Molecular Weight

  • 488.704
 
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Names and Synonyms

Results Name

  • Jacarandic acid

Synonyms

  • 2,3,19-Trihydroxyurs-12-en-28-oic acid (2alpha,3beta)-
  • Euscaphic acid
  • Tormentic acid

Systematic Name

  • Urs-12-en-28-oic acid, 2,3,19-trihydroxy-, (2alpha,3beta)-

Registry Numbers

CAS Registry Number

  • 13850-16-3

System Generated Number

  • 0013850163

Structure Descriptors

InChI

1S/C30H48O5/c1-17-10-13-30(24(33)34)15-14-27(5)18(22(30)29(17,7)35)8-9-21-26(4)16-19(31)23(32)25(2,3)20(26)11-12-28(21,27)6/h8,17,19-23,31-32,35H,9-16H2,1-7H3,(H,33,34)/t17-,19-,20+,21-,22-,23+,26+,27-,28-,29-,30+/m1/s1

InChIKey

OXVUXGFZHDKYLS-BLIWDXROSA-N

Smiles

C=12[C@H]3[C@](C(=O)O)(CC[C@H]([C@]3(O)C)C)CC[C@@]2([C@@]2(CC[C@@H]3[C@@](C[C@H]([C@@H](O)C3(C)C)O)(C)[C@H]2CC1)C)C