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Substance Name: 29,30-Dinorlupan-20-oic acid, 28-((10-carboxydecyl)amino)-3-hydroxy-28-oxo-, (3beta)-
RN: 173106-27-9
InChIKey: PZCVVCQRVOZVAJ-SHBZPGRUSA-N

Molecular Formula

  • C39-H65-N-O6

Molecular Weight

  • 643.9435
 
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Names and Synonyms

Synonym

  • N-(19-Carboxy-3beta-hydroxy-20,29,30-trinorlupan-28-oyl)-11-aminoundecanoic acid

Systematic Name

  • 29,30-Dinorlupan-20-oic acid, 28-((10-carboxydecyl)amino)-3-hydroxy-28-oxo-, (3beta)-

Registry Numbers

CAS Registry Number

  • 173106-27-9

System Generated Number

  • 0173106279

Structure Descriptors

InChI

1S/C39H65NO6/c1-35(2)28-18-21-38(5)29(36(28,3)20-19-30(35)41)16-15-27-32-26(33(44)45)17-22-39(32,24-23-37(27,38)4)34(46)40-25-13-11-9-7-6-8-10-12-14-31(42)43/h26-30,32,41H,6-25H2,1-5H3,(H,40,46)(H,42,43)(H,44,45)/t26-,27?,28+,29-,30+,32-,36+,37-,38-,39+/m1/s1

InChIKey

PZCVVCQRVOZVAJ-SHBZPGRUSA-N

Smiles

C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CCC4[C@]3(CC[C@@]5([C@@H]4[C@@H](CC5)C(=O)O)C(=O)NCCCCCCCCCCC(=O)O)C)C)(C)C)O