Disodium (3β,8α,9β,14β,18α)-3-[(3-carboxylatopropanoyl)oxy]-11-oxoolean-12-en-29-oate

More details:

• Systematic name

  Disodium (3beta,8alpha,9beta,14beta,18alpha)-3-[(3-carboxylatopropanoyl)oxy]-11-oxoolean-12-en-29-oate

• SMILES

  C[C@]12CC[C@@](C[C@@H]1C3=CC(=O)[C@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@@]4([C@]3(CC2)C)C)(C)C)OC(=O)CCC(=O)[O-])C)(C)C(=O)[O-].[Na+].[Na+]

• Std. InChi

  InChI=1S/C34H50O7.2Na/c1-29(2)23-10-13-34(7)27(32(23,5)12-11-24(29)41-26(38)9-8-25(36)37)22(35)18-20-21-19-31(4,28(39)40)15-14-30(21,3)16-17-33(20,34)6;;/h18,21,23-24,27H,8-17,19H2,1-7H3,(H,36,37)(H,39,40);;/q;2*+1/p-2/t21-,23+,24+,27+,30-,31-,32+,33+,34+;;/m1../s1

• Std. InChIKey

  BQENDLAVTKRQMS-NJWFAWCSSA-L

• Cite this record

  CSID:5036789, http://www.chemspider.com/Chemical-Structure.5036789.html (accessed 18:50, Jun 14, 2024)