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Substance Name: Cochalic acid
RN: 545-88-0
InChIKey: YKOPWPOFWMYZJZ-GHQYYBFDSA-N

Molecular Formula

  • C30-H48-O4

Molecular Weight

  • 472.7052
 
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Names and Synonyms

Name of Substance

  • Cochalic acid

Synonym

  • Cochalic acid

Systematic Names

  • 3beta,16beta-Dihydroxy-olean-12-en-28-oic acid
  • Olean-12-en-28-oic acid, 3,16-dihydroxy-, (3beta,16beta)-

Registry Numbers

CAS Registry Number

  • 545-88-0

System Generated Number

  • 0000545880

Structure Descriptors

InChI

1S/C30H48O4/c1-25(2)14-15-30(24(33)34)19(16-25)18-8-9-21-27(5)12-11-22(31)26(3,4)20(27)10-13-28(21,6)29(18,7)17-23(30)32/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20?,21-,22+,23+,27+,28-,29-,30-/m1/s1

InChIKey

YKOPWPOFWMYZJZ-GHQYYBFDSA-N

Smiles

C[C@]12CC[C@@H](C(C1CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@@H]([C@@]5([C@@H]4CC(CC5)(C)C)C(=O)O)O)C)C)(C)C)O