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Substance Name: Tridecanoic acid, 13-(((3beta)-3-hydroxy-28-oxolup-20(29)-en-28-yl)amino)-
RN: 174740-44-4
InChIKey: QAHGUQMAFUOCRE-LBPZTPFYSA-N

Molecular Formula

  • C43-H73-N-O4

Molecular Weight

  • 668.0527
 
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Names and Synonyms

Synonym

  • N-(3beta-Hydroxylup-20(29)-en-28-oyl)-13-aminotridecanoic acid

Systematic Name

  • Tridecanoic acid, 13-(((3beta)-3-hydroxy-28-oxolup-20(29)-en-28-yl)amino)-

Registry Numbers

CAS Registry Number

  • 174740-44-4

System Generated Number

  • 0174740444

Structure Descriptors

InChI

1S/C43H73NO4/c1-30(2)31-21-26-43(38(48)44-29-17-15-13-11-9-8-10-12-14-16-18-36(46)47)28-27-41(6)32(37(31)43)19-20-34-40(5)24-23-35(45)39(3,4)33(40)22-25-42(34,41)7/h31-35,37,45H,1,8-29H2,2-7H3,(H,44,48)(H,46,47)/t31-,32+,33-,34+,35-,37+,40-,41+,42+,43-/m0/s1

InChIKey

QAHGUQMAFUOCRE-LBPZTPFYSA-N

Smiles

CC(=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)NCCCCCCCCCCCCC(=O)O