CAS 1108-68-5 Cinobufotalin - Analytical Products / Alfa Chemistry

CAT	APS1108685
CAS	1108-68-5
Structure
MDL Number	MFCD28396383
Synonyms	(3β,5β,15β,16β)-16-(acetyloxy)-14,15-epoxy-3,5-dihydroxy-bufa-20,22-dienolide
Molecular Weight	458.54
Molecular Formula	C26H34O7
Canonical SMILES	CC(=O)O[C@H]1[C@H]2O[C@]23[C@@H]4CC[C@]5(O)C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1C6=COC(=O)C=C6
InChI	InChI=1S/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+/m0/s1
InChI Key	KBKUJJFDSHBPPA-ZNCGZLKOSA-N

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