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Substance Name: Undecanoic acid, 11-(((3beta)-3-hydroxy-28-oxo-30-(1-pyrrolidinyl)lup-20(29)-en-28-yl)amino)-
RN: 150840-87-2
InChIKey: HKTYZRFGHVZYAO-PIGSMCEDSA-N

Molecular Formula

  • C45-H76-N2-O4

Molecular Weight

  • 709.1054
 
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Names and Synonyms

Synonym

  • N-(3beta-Hydroxy-30-pyrrolidinolup-20(29)-en-28-oyl)-11-aminoundecanoic acid

Systematic Name

  • Undecanoic acid, 11-(((3beta)-3-hydroxy-28-oxo-30-(1-pyrrolidinyl)lup-20(29)-en-28-yl)amino)-

Registry Numbers

CAS Registry Number

  • 150840-87-2

System Generated Number

  • 0150840872

Structure Descriptors

InChI

1S/C45H76N2O4/c1-32(31-47-29-15-16-30-47)33-20-25-45(40(51)46-28-14-12-10-8-7-9-11-13-17-38(49)50)27-26-43(5)34(39(33)45)18-19-36-42(4)23-22-37(48)41(2,3)35(42)21-24-44(36,43)6/h33-37,39,48H,1,7-31H2,2-6H3,(H,46,51)(H,49,50)/t33-,34+,35-,36+,37-,39+,42-,43+,44+,45-/m0/s1

InChIKey

HKTYZRFGHVZYAO-PIGSMCEDSA-N

Smiles

C[C@@]12CC[C@]3(CC[C@H]([C@@H]3[C@H]1CC[C@H]4[C@]2(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)C(=C)CN6CCCC6)C(=O)NCCCCCCCCCCC(=O)O