Yessotoxin (di-sodium salt) solution in methanol (7.42 µg/g)

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For Research Use Only | Not For Clinical Use

CAT	APB112574502
CAS	112574-50-2
Molecular Weight	1187.32
Molecular Formula	C55H80O21S2·2Na
Canonical SMILES	[Na+].[Na+].C[C@H]1CC[C@]2(C)O[C@]3(C)CCC4OC5CC6OC7CC(OS(=O)(=O)[O-])[C@@](C)(CCOS(=O)(=O)[O-])OC7CC6OC5CC4OC3CC2OC8CC9OC%10CC%11OC(C(=C)CC%11O[C@]%10(C)[C@H](O)C9OC18)[C@](C)(O)\C=C\C(=C)CC=C
InChI	, 2*+1/p-2/b15-12+, , /h10,12,15,29,31-50,56-57H,1-2,4,11,13-14,16-27H2,3,5-9H3,(H,58,59,60)(H,61,62,63), /t29-,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,43?,44?,45?,46?,47?,48?,49+,50?,51+,52+,53-,54+,55-, /m0../s1, /q, InChI=1S/C55H82O21S2.2Na/c1-10-11-28(2)12-15-51(5,57)50-30(4)20-39-38(71-50)26-46-55(9,74-39)49(56)48-42(70-46)24-41-47(72-48)29(3)13-16-53(7)44(69-41)27-43-54(8,76-53)17-14-31-32(68-43)21-34-33(65-31)22-35-36(66-34)23-40-37(67-35)25-45(75-78(61,62)63)52(6,73-40)18-19-64-77(58,59)60

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