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Substance Name: Undecanoic acid, 11-(((3beta)-3-hydroxy-28-oxolup-20(29)-en-28-yl)methylamino)-
RN: 173106-16-6
InChIKey: ODWOAAPYZYCPNP-JEHQWSALSA-N

Molecular Formula

  • C42-H71-N-O4

Molecular Weight

  • 654.0259
 
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Names and Synonyms

Synonym

  • N-(3beta-Hydroxylup-20(29)-en-28-oyl)-N-methyl-11-aminoundecanoic acid

Systematic Name

  • Undecanoic acid, 11-(((3beta)-3-hydroxy-28-oxolup-20(29)-en-28-yl)methylamino)-

Registry Numbers

CAS Registry Number

  • 173106-16-6

System Generated Number

  • 0173106166

Structure Descriptors

InChI

1S/C42H71NO4/c1-29(2)30-20-25-42(37(47)43(8)28-16-14-12-10-9-11-13-15-17-35(45)46)27-26-40(6)31(36(30)42)18-19-33-39(5)23-22-34(44)38(3,4)32(39)21-24-41(33,40)7/h30-34,36,44H,1,9-28H2,2-8H3,(H,45,46)/t30-,31+,32-,33+,34-,36+,39-,40+,41+,42-/m0/s1

InChIKey

ODWOAAPYZYCPNP-JEHQWSALSA-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)N(C)CCCCCCCCCCC(=O)O