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Substance Name: Undecanoic acid, 11-(((3beta)-3-hydroxy-30-((2-hydroxyethyl)thio)-28-oxolup-20(29)-en-28-yl)amino)-
RN: 150840-83-8
InChIKey: UVSAVYCJNRMRFC-BOWRCTOHSA-N

Molecular Formula

  • C43-H73-N-O5-S

Molecular Weight

  • 716.1177
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 150840-83-8

System Generated Number

  • 0150840838

Structure Descriptors

InChI

1S/C43H73NO5S/c1-30(29-50-28-27-45)31-18-23-43(38(49)44-26-14-12-10-8-7-9-11-13-15-36(47)48)25-24-41(5)32(37(31)43)16-17-34-40(4)21-20-35(46)39(2,3)33(40)19-22-42(34,41)6/h31-35,37,45-46H,1,7-29H2,2-6H3,(H,44,49)(H,47,48)/t31-,32+,33-,34?,35-,37+,40-,41+,42+,43-/m0/s1

InChIKey

UVSAVYCJNRMRFC-BOWRCTOHSA-N

Smiles

C[C@@]12CC[C@]3(CC[C@H]([C@@H]3[C@H]1CCC4[C@]2(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)C(=C)CSCCO)C(=O)NCCCCCCCCCCC(=O)O