Cinobufotalin(1108-68-5) IR1
Product NameCinobufotalin
CAS1108-68-5
Molecular FormulaC26H34O7
Molecular Weight458.54
InChIInChI=1/C26H34O7/c1-14(27)32-21-20(15-4-5-19(29)31-13-15)24(3)10-7-17-18(26(24)22(21)33-26)8-11-25(30)12-16(28)6-9-23(17,25)2/h4-5,13,16-18,20-22,28,30H,6-12H2,1-3H3/t16-,17-,18+,20-,21+,22+,23+,24+,25-,26-/s3
InChIKey KBKUJJFDSHBPPA-XYCOMLSLNA-N
Smiles[C@]123O[C@@H]1[C@@H]([C@H](C1=COC(=O)C=C1)[C@@]2(C)CC[C@]1([H])[C@@]2(C)CC[C@H](O)C[C@@]2(O)CC[C@@]31[H])OC(=O)C |&1:0,2,3,4,12,16,18,22,25,29,r|
