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Substance Name: Undecanoic acid, 11-(((3beta)-30-(acetylamino)-3-hydroxy-28-oxolup-20(29)-en-28-yl)amino)-
RN: 173106-44-0
InChIKey: AHTLBPNNHMDWJL-LBPZTPFYSA-N

Molecular Formula

  • C43-H72-N2-O5

Molecular Weight

  • 697.0508
 
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Names and Synonyms

Synonym

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

Systematic Name

  • Undecanoic acid, 11-(((3beta)-30-(acetylamino)-3-hydroxy-28-oxolup-20(29)-en-28-yl)amino)-

Registry Numbers

CAS Registry Number

  • 173106-44-0

System Generated Number

  • 0173106440

Structure Descriptors

InChI

1S/C43H72N2O5/c1-29(28-45-30(2)46)31-19-24-43(38(50)44-27-15-13-11-9-8-10-12-14-16-36(48)49)26-25-41(6)32(37(31)43)17-18-34-40(5)22-21-35(47)39(3,4)33(40)20-23-42(34,41)7/h31-35,37,47H,1,8-28H2,2-7H3,(H,44,50)(H,45,46)(H,48,49)/t31-,32+,33-,34+,35-,37+,40-,41+,42+,43-/m0/s1

InChIKey

AHTLBPNNHMDWJL-LBPZTPFYSA-N

Smiles

CC(=O)NCC(=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)C(=O)NCCCCCCCCCCC(=O)O