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Substance Name: Undecanoic acid, 11-(((3beta)-30-((2-(diethylamino)ethyl)thio)-28-oxolup-20(29)-en-28-yl)amino)-
RN: 173106-37-1
InChIKey: UIRZXZJPFRPXLS-QRXCWXLESA-N

Molecular Formula

  • C47-H82-N2-O4-S

Molecular Weight

  • 771.2408
 
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Names and Synonyms

Synonym

  • N-(3beta-Hydroxy-30-(((2,2-diethylamino)ethyl)thio)lup-20(29)-en-28-oyl)-11-aminoundecanoic acid

Systematic Name

  • Undecanoic acid, 11-(((3beta)-30-((2-(diethylamino)ethyl)thio)-28-oxolup-20(29)-en-28-yl)amino)-

Registry Numbers

CAS Registry Number

  • 173106-37-1

System Generated Number

  • 0173106371

Structure Descriptors

InChI

1S/C47H82N2O4S/c1-9-49(10-2)31-32-54-33-34(3)35-22-27-47(42(53)48-30-18-16-14-12-11-13-15-17-19-40(51)52)29-28-45(7)36(41(35)47)20-21-38-44(6)25-24-39(50)43(4,5)37(44)23-26-46(38,45)8/h35-39,41,50H,3,9-33H2,1-2,4-8H3,(H,48,53)(H,51,52)/t35-,36+,37-,38+,39-,41+,44-,45+,46+,47-/m0/s1

InChIKey

UIRZXZJPFRPXLS-QRXCWXLESA-N

Smiles

CCN(CC)CCSCC(=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