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Substance Name: 22beta-Angeloyloxyoleanolic acid
RN: 13224-63-0
InChIKey: BJFLQQFMBZHWKK-LQJUYVCFSA-N

Molecular Formula

  • C35-H54-O5

Molecular Weight

  • 554.8066
 
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Names and Synonyms

Name of Substance

  • 22beta-Angeloyloxyoleanolic acid

Synonyms

  • Lantadene A (reduced)
  • Reduced lantadene A

Systematic Name

  • Olean-12-en-28-oic acid, 3-hydroxy-22-((2-methyl-1-oxo-2-butenyl)oxy)-, (3beta,22beta(Z))-

Registry Numbers

CAS Registry Number

  • 13224-63-0

System Generated Number

  • 0013224630

Structure Descriptors

InChI

1S/C35H54O5/c1-10-21(2)28(37)40-27-20-30(3,4)19-23-22-11-12-25-32(7)15-14-26(36)31(5,6)24(32)13-16-34(25,9)33(22,8)17-18-35(23,27)29(38)39/h10-11,23-27,36H,12-20H2,1-9H3,(H,38,39)/b21-10+/t23-,24?,25-,26+,27-,32+,33-,34-,35+/m1/s1

InChIKey

BJFLQQFMBZHWKK-LQJUYVCFSA-N

Smiles

C/C=C(\C)/C(=O)O[C@@H]1CC(C[C@H]2[C@]1(CC[C@@]3(C2=CC[C@H]4[C@]3(CCC5[C@@]4(CC[C@@H](C5(C)C)O)C)C)C)C(=O)O)(C)C