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Substance Name: Benzoic acid, 3-((8-(((3beta)-3-hydroxy-28-oxolup-20(29)-en-28-yl)amino)-1-oxooctyl)amino)-
RN: 174740-60-4
InChIKey: FUGSAESQFCCQSG-QJWPZJBRSA-N

Molecular Formula

  • C45-H68-N2-O5

Molecular Weight

  • 717.0412
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 174740-60-4

System Generated Number

  • 0174740604

Structure Descriptors

InChI

1S/C45H68N2O5/c1-29(2)32-19-24-45(40(52)46-27-12-10-8-9-11-16-37(49)47-31-15-13-14-30(28-31)39(50)51)26-25-43(6)33(38(32)45)17-18-35-42(5)22-21-36(48)41(3,4)34(42)20-23-44(35,43)7/h13-15,28,32-36,38,48H,1,8-12,16-27H2,2-7H3,(H,46,52)(H,47,49)(H,50,51)/t32-,33+,34-,35+,36-,38+,42-,43+,44+,45-/m0/s1

InChIKey

FUGSAESQFCCQSG-QJWPZJBRSA-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)Nc6cccc(c6)C(=O)O