2-Hydroxy-N,N,N-trimethylethanaminium (3β)-3-hydroxylup-20(29)-en-28-oate

More details:

• Systematic name

  2-Hydroxy-N,N,N-trimethylethanaminium (3beta)-3-hydroxylup-20(29)-en-28-oate

• 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)[O-].C[N+](C)(C)CCO

• Std. InChi

  InChI=1S/C30H48O3.C5H14NO/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7;1-6(2,3)4-5-7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33);7H,4-5H2,1-3H3/q;+1/p-1/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-;/m0./s1

• Std. InChIKey

  GVUXEWAJOYKCFU-WPWIBRCCSA-M

• Cite this record

  CSID:59004192, http://www.chemspider.com/Chemical-Structure.59004192.html (accessed 04:54, Apr 19, 2024)