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Substance Name: Benzoic acid, 4-(((7-(((3beta)-3-hydroxy-28-oxolup-20(29)-en-28-yl)amino)heptyl)amino)carbonyl)
RN: 174740-66-0
InChIKey: RTMRDULKFJEXQE-LWGJPUDRSA-N

Molecular Formula

  • C45-H68-N2-O5

Molecular Weight

  • 717.0412
 
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Names and Synonyms

Synonym

  • 4-(N-3beta-Hydroxylup-20(29)-en-28-oyl)-7-aminoheptyl)carbamoyl)benzoic acid

Systematic Name

  • Benzoic acid, 4-(((7-(((3beta)-3-hydroxy-28-oxolup-20(29)-en-28-yl)amino)heptyl)amino)carbonyl)

Registry Numbers

CAS Registry Number

  • 174740-66-0

System Generated Number

  • 0174740660

Structure Descriptors

InChI

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

InChIKey

RTMRDULKFJEXQE-LWGJPUDRSA-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)NCCCCCCCNC(=O)c6ccc(cc6)C(=O)O