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Substance Name: Undecanoic acid, 11-((28-oxolupa-2,20(29)-dien-28-yl)amino)-
RN: 173106-21-3
InChIKey: DLQIFBWWKXWNOO-MSDKYAEOSA-N

Molecular Formula

  • C41-H67-N-O3

Molecular Weight

  • 621.9843
 
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Names and Synonyms

Synonym

  • N-(Lupa-2(3),20(29)-dien-28-oyl)-11-aminoundecanoic acid

Systematic Name

  • Undecanoic acid, 11-((28-oxolupa-2,20(29)-dien-28-yl)amino)-

Registry Numbers

CAS Registry Number

  • 173106-21-3

System Generated Number

  • 0173106213

Structure Descriptors

InChI

1S/C41H67NO3/c1-29(2)30-20-25-41(36(45)42-28-15-13-11-9-8-10-12-14-17-34(43)44)27-26-39(6)31(35(30)41)18-19-33-38(5)23-16-22-37(3,4)32(38)21-24-40(33,39)7/h16,22,30-33,35H,1,8-15,17-21,23-28H2,2-7H3,(H,42,45)(H,43,44)/t30-,31?,32-,33+,35?,38-,39+,40+,41-/m0/s1

InChIKey

DLQIFBWWKXWNOO-MSDKYAEOSA-N

Smiles

CC(=C)[C@@H]1CC[C@]2(C1C3CC[C@H]4[C@]([C@@]3(CC2)C)(CC[C@@H]5[C@@]4(CC=CC5(C)C)C)C)C(=O)NCCCCCCCCCCC(=O)O