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Substance Name: beta-Alanine, N-(8-(((3beta)-3-hydroxy-28-oxolup-20(29)-en-28-yl)amino)-1-oxooctyl)-
RN: 150840-55-4
InChIKey: ZRKCZIFJTFURSB-CNEDUANUSA-N

Molecular Formula

  • C41-H68-N2-O5

Molecular Weight

  • 668.9972
 
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Names and Synonyms

Synonym

  • N'-(N-(3beta-Hydroxylup-20(29)-en-28-oyl)-8-aminooctanoyl)-3-aminopropanoic acid

Systematic Name

  • beta-Alanine, N-(8-(((3beta)-3-hydroxy-28-oxolup-20(29)-en-28-yl)amino)-1-oxooctyl)-

Registry Numbers

CAS Registry Number

  • 150840-55-4

System Generated Number

  • 0150840554

Structure Descriptors

InChI

1S/C41H68N2O5/c1-27(2)28-16-22-41(36(48)43-25-12-10-8-9-11-13-33(45)42-26-19-34(46)47)24-23-39(6)29(35(28)41)14-15-31-38(5)20-18-32(44)37(3,4)30(38)17-21-40(31,39)7/h28-32,35,44H,1,8-26H2,2-7H3,(H,42,45)(H,43,48)(H,46,47)/t28-,29+,30-,31+,32-,35+,38-,39+,40+,41-/m0/s1

InChIKey

ZRKCZIFJTFURSB-CNEDUANUSA-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)NCCCCCCCC(=O)NCCC(=O)O