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Substance Name: Undecanoic acid, 11-(((3beta)-3-hydroxy-20,28-dioxo-30-norlupan-28-yl)amino)-
RN: 150840-49-6
InChIKey: GAVBICAHSHTFPO-QPPLJHNISA-N

Molecular Formula

  • C40-H67-N-O5

Molecular Weight

  • 641.9713
 
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Names and Synonyms

Synonym

  • N-(3beta-Hydroxy-30-nor-20-oxolupan-28-oyl)-11-aminoundecanoic acid

Systematic Name

  • Undecanoic acid, 11-(((3beta)-3-hydroxy-20,28-dioxo-30-norlupan-28-yl)amino)-

Registry Numbers

CAS Registry Number

  • 150840-49-6

System Generated Number

  • 0150840496

Structure Descriptors

InChI

1S/C40H67NO5/c1-27(42)28-18-23-40(35(46)41-26-14-12-10-8-7-9-11-13-15-33(44)45)25-24-38(5)29(34(28)40)16-17-31-37(4)21-20-32(43)36(2,3)30(37)19-22-39(31,38)6/h28-32,34,43H,7-26H2,1-6H3,(H,41,46)(H,44,45)/t28-,29?,30-,31+,32-,34+,37-,38+,39+,40-/m0/s1

InChIKey

GAVBICAHSHTFPO-QPPLJHNISA-N

Smiles

CC(=O)[C@@H]1CC[C@]2([C@H]1C3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C(=O)NCCCCCCCCCCC(=O)O