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Substance Name: Undecanoic acid, 11-(((3beta)-30-((4-fluorophenyl)thio)-3-hydroxy-28-oxolup-20(29)-en-28-yl)amino)-
RN: 173106-39-3
InChIKey: LGPNVOCPRCYNSW-QRXCWXLESA-N

Molecular Formula

  • C47-H72-F-N-O4-S

Molecular Weight

  • 766.1528
 
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Names and Synonyms

Synonym

  • N-(3beta-Hydroxy-30-((4'-fluorophenyl)thio)lup-20(29)-en-28-oyl)-11-aminoundecanoic acid

Systematic Name

  • Undecanoic acid, 11-(((3beta)-30-((4-fluorophenyl)thio)-3-hydroxy-28-oxolup-20(29)-en-28-yl)amino)-

Registry Numbers

CAS Registry Number

  • 173106-39-3

System Generated Number

  • 0173106393

Structure Descriptors

InChI

1S/C47H72FNO4S/c1-32(31-54-34-18-16-33(48)17-19-34)35-22-27-47(42(53)49-30-14-12-10-8-7-9-11-13-15-40(51)52)29-28-45(5)36(41(35)47)20-21-38-44(4)25-24-39(50)43(2,3)37(44)23-26-46(38,45)6/h16-19,35-39,41,50H,1,7-15,20-31H2,2-6H3,(H,49,53)(H,51,52)/t35-,36+,37-,38+,39-,41+,44-,45+,46+,47-/m0/s1

InChIKey

LGPNVOCPRCYNSW-QRXCWXLESA-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)CSc6ccc(cc6)F)C(=O)NCCCCCCCCCCC(=O)O