(3β,5ξ,18α)-3-({[(1S,2R)-2-Carboxycyclohexyl]carbonyl}oxy)-11-oxoolean-12-en-30-oic acid

More details:

• Systematic name

  (3beta,5xi,18alpha)-3-({[(1S,2R)-2-Carboxycyclohexyl]carbonyl}oxy)-11-oxoolean-12-en-30-oic acid

• SMILES

  O=C(O)[C@@H]6CCCC[C@@H]6C(=O)O[C@H]4CC[C@@]3([C@H]5C(=O)/C=C2/[C@H]1C[C@](C(=O)O)(C)CC[C@]1(C)CC[C@]2([C@@]5(CCC3C4(C)C)C)C)C

• Std. InChi

  InChI=1S/C38H56O7/c1-33(2)27-12-15-38(7)29(36(27,5)14-13-28(33)45-31(42)23-11-9-8-10-22(23)30(40)41)26(39)20-24-25-21-35(4,32(43)44)17-16-34(25,3)18-19-37(24,38)6/h20,22-23,25,27-29H,8-19,21H2,1-7H3,(H,40,41)(H,43,44)/t22-,23+,25-,27?,28+,29-,34-,35+,36+,37-,38-/m1/s1

• Std. InChIKey

  IPIHZIYZLLMCRF-ZSJZDYJNSA-N

• Cite this record

  CSID:5293107, http://www.chemspider.com/Chemical-Structure.5293107.html (accessed 02:00, Apr 26, 2024)