Disodium (3β,5ξ,9β)-3-[(3-carboxylatopropanoyl)oxy]-11-oxoolean-12-en-29-oate

More details:

• Systematic name

  Disodium (3beta,5xi,9beta)-3-[(3-carboxylatopropanoyl)oxy]-11-oxoolean-12-en-29-oate

• SMILES

  C[C@@]12CC[C@@]3(C(=CC(=O)[C@@H]4[C@]3(CCC5[C@@]4(CC[C@@H](C5(C)C)OC(=O)CCC(=O)[O-])C)C)[C@@H]1CC(CC2)(C)C(=O)[O-])C.[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+;;/m0../s1

• Std. InChIKey

  BQENDLAVTKRQMS-TVBHKOBBSA-L

• Cite this record

  CSID:32697346, http://www.chemspider.com/Chemical-Structure.32697346.html (accessed 03:22, Jun 15, 2024)