Aluminium tris[(3β,5ξ,9ξ,18α)-3-hydroxy-11-oxoolean-12-en-29-oate]

More details:

• Systematic name

  Aluminium tris[(3beta,5xi,9xi,18alpha)-3-hydroxy-11-oxoolean-12-en-29-oate]

• SMILES

  C[C@]12CC[C@@](C[C@@H]1C3=CC(=O)C4[C@]5(CC[C@@H](C(C5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)(C)C(=O)[O-].C[C@]12CC[C@@](C[C@@H]1C3=CC(=O)C4[C@]5(CC[C@@H](C(C5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)(C)C(=O)[O-].C[C@]12CC[C@@](C[C@@H]1C3=CC(=O)C4[C@]5(CC[C@@H](C(C5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)(C)C(=O)[O-].[Al+3]

• Std. InChi

  InChI=1S/3C30H46O4.Al/c3*1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6;/h3*16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34);/q;;;+3/p-3/t3*19-,21?,22+,23?,26-,27-,28+,29-,30-;/m111./s1

• Std. InChIKey

  JIQUHOXNCWKESF-YOYGGKLISA-K

• Cite this record

  CSID:52563621, http://www.chemspider.com/Chemical-Structure.52563621.html (accessed 16:10, Jun 1, 2024)