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Substance Name: Undecanoic acid, 11-(((3beta)-3-hydroxy-28-oxolupan-28-yl)amino)-
RN: 150840-47-4
InChIKey: BWXGKKFYQNUEHW-QRMIFHHBSA-N

Molecular Formula

  • C41-H71-N-O4

Molecular Weight

  • 642.0149
 
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Names and Synonyms

Synonym

  • N-(3beta-Hydroxylupan-28-oyl)-11-aminoundecanoic acid

Systematic Name

  • Undecanoic acid, 11-(((3beta)-3-hydroxy-28-oxolupan-28-yl)amino)-

Registry Numbers

CAS Registry Number

  • 150840-47-4

System Generated Number

  • 0150840474

Structure Descriptors

InChI

1S/C41H71NO4/c1-28(2)29-19-24-41(36(46)42-27-15-13-11-9-8-10-12-14-16-34(44)45)26-25-39(6)30(35(29)41)17-18-32-38(5)22-21-33(43)37(3,4)31(38)20-23-40(32,39)7/h28-33,35,43H,8-27H2,1-7H3,(H,42,46)(H,44,45)/t29-,30?,31-,32+,33-,35+,38-,39+,40+,41-/m0/s1

InChIKey

BWXGKKFYQNUEHW-QRMIFHHBSA-N

Smiles

CC(C)[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