OUABAGENIN(508-52-1) IR2
Product NameOUABAGENIN
CAS508-52-1
Molecular FormulaC23H34O8
Molecular Weight438.51
InChIInChI=1/C23H34O8/c1-20-9-16(26)19-15(23(20,30)5-3-14(20)12-6-18(28)31-10-12)2-4-21(29)8-13(25)7-17(27)22(19,21)11-24/h6,13-17,19,24-27,29-30H,2-5,7-11H2,1H3/t13-,14+,15+,16+,17+,19+,20+,21-,22+,23-/s3
InChIKey BXSABLKMKAINIU-GHLRYNIFNA-N
Smiles[C@]12(CO)[C@H](O)C[C@H](O)C[C@@]1(O)CC[C@@]1([H])[C@@]3(O)CC[C@H](C4COC(=O)C=4)[C@@]3(C)C[C@@H](O)[C@]21[H] |&1:0,3,6,9,13,15,19,26,29,31,r|
