Disodium (3α,5ξ,10α,14β,18α)-3-[(3-carboxylatopropanoyl)oxy]-11-oxoolean-12-en-29-oate

More details:

• Systematic name

  Disodium (3alpha,5xi,10alpha,14beta,18alpha)-3-[(3-carboxylatopropanoyl)oxy]-11-oxoolean-12-en-29-oate

• SMILES

  [Na+].[Na+].CC1(C)[C@@H](CC[C@]2(C)C1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@H]3CC(C)(CC[C@]3(C)CC[C@]12C)C([O-])=O)OC(=O)CCC([O-])=O

• 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-ZVNJXQKHSA-L

• Cite this record

  CSID:114812353, http://www.chemspider.com/Chemical-Structure.114812353.html (accessed 22:09, Jun 14, 2024)