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Substance Name: Undecanoic acid, 11-(((3beta)-3-hydroxy-30-((2-hydroxyethyl)amino)-28-oxolup-20(29)-en-28-yl)amino)-
RN: 150840-88-3
InChIKey: APXSNOBWUOFVSY-LBPZTPFYSA-N

Molecular Formula

  • C43-H74-N2-O5

Molecular Weight

  • 699.0666
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 150840-88-3

System Generated Number

  • 0150840883

Structure Descriptors

InChI

1S/C43H74N2O5/c1-30(29-44-27-28-46)31-18-23-43(38(50)45-26-14-12-10-8-7-9-11-13-15-36(48)49)25-24-41(5)32(37(31)43)16-17-34-40(4)21-20-35(47)39(2,3)33(40)19-22-42(34,41)6/h31-35,37,44,46-47H,1,7-29H2,2-6H3,(H,45,50)(H,48,49)/t31-,32+,33-,34+,35-,37+,40-,41+,42+,43-/m0/s1

InChIKey

APXSNOBWUOFVSY-LBPZTPFYSA-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)CNCCO)C(=O)NCCCCCCCCCCC(=O)O