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Substance Name: Oleanolic acid 3-acetate
RN: 4339-72-4
InChIKey: RIXNFYQZWDGQAE-DFHVBEEKSA-N

Note

  • From Gardenia jasminoides.

Molecular Formula

  • C32-H50-O4

Molecular Weight

  • 498.743
 
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Names and Synonyms

Name of Substance

  • Oleanolic acid 3-acetate

Synonym

  • 3-O-Acetyloleanolic acid

Systematic Name

  • Olean-12-en-28-oic acid, 3-(acetyloxy)-, (3beta)-

Registry Numbers

CAS Registry Number

  • 4339-72-4

System Generated Number

  • 0004339724

Structure Descriptors

InChI

1S/C32H50O4/c1-20(33)36-25-12-13-29(6)23(28(25,4)5)11-14-31(8)24(29)10-9-21-22-19-27(2,3)15-17-32(22,26(34)35)18-16-30(21,31)7/h9,22-25H,10-19H2,1-8H3,(H,34,35)/t22-,23-,24+,25-,29-,30+,31+,32-/m0/s1

InChIKey

RIXNFYQZWDGQAE-DFHVBEEKSA-N

Smiles

C([C@]12CC[C@@]3([C@@]4(CC[C@H]5C([C@H](CC[C@@]5([C@H]4CC=C3[C@@H]2CC(CC1)(C)C)C)OC(C)=O)(C)C)C)C)(=O)O