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Substance Name: Dodecanoic acid, 12-((3beta)-3-hydroxy-28-norlup-20(29)-en-17-yl)-12-oxo-
RN: 173106-46-2
InChIKey: ULGQTYCLGUYEJA-OOIWYLDHSA-N

Molecular Formula

  • C41-H69-N-O4

Molecular Weight

  • 639.9991
 
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Names and Synonyms

Synonym

  • 11-((3beta-Acetoxy-28-norlup-20(29)-en-17-yl)carbamoyl)undecanoic acid

Systematic Name

  • Dodecanoic acid, 12-((3beta)-3-hydroxy-28-norlup-20(29)-en-17-yl)-12-oxo-

Registry Numbers

CAS Registry Number

  • 173106-46-2

System Generated Number

  • 0173106462

Structure Descriptors

InChI

1S/C41H69NO4/c1-28(2)29-20-25-41(42-34(44)16-14-12-10-8-9-11-13-15-17-35(45)46)27-26-39(6)30(36(29)41)18-19-32-38(5)23-22-33(43)37(3,4)31(38)21-24-40(32,39)7/h29-33,36,43H,1,8-27H2,2-7H3,(H,42,44)(H,45,46)/t29-,30+,31-,32+,33-,36+,38-,39+,40+,41-/m0/s1

InChIKey

ULGQTYCLGUYEJA-OOIWYLDHSA-N

Smiles

CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)NC(=O)CCCCCCCCCCC(=O)O