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Substance Name: Butanoic acid, 4-(((3beta)-3-hydroxy-28-oxolup-20(29)-en-28-yl)amino)-
RN: 174740-42-2
InChIKey: YHNISVRBGHMCLY-YYUWZDJZSA-N

Molecular Formula

  • C34-H55-N-O4

Molecular Weight

  • 541.8115
 
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Names and Synonyms

Synonym

  • N-(3beta-Hydroxylup-20(29)-en-28-oyl)-4-aminobutyric acid

Systematic Name

  • Butanoic acid, 4-(((3beta)-3-hydroxy-28-oxolup-20(29)-en-28-yl)amino)-

Registry Numbers

CAS Registry Number

  • 174740-42-2

System Generated Number

  • 0174740422

Structure Descriptors

InChI

1S/C34H55NO4/c1-21(2)22-12-17-34(29(39)35-20-8-9-27(37)38)19-18-32(6)23(28(22)34)10-11-25-31(5)15-14-26(36)30(3,4)24(31)13-16-33(25,32)7/h22-26,28,36H,1,8-20H2,2-7H3,(H,35,39)(H,37,38)/t22-,23+,24-,25+,26-,28+,31-,32+,33+,34-/m0/s1

InChIKey

YHNISVRBGHMCLY-YYUWZDJZSA-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)NCCCC(=O)O