CAS 2706-67-4 MFCD02706674-12'-hydroxy-2',5'alpha-diisopropylergotaman-3',6',18-trionemonomethanesulphonate -LabNovo

SMILES: CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(OS(C)(=O)=O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12

Mol. Formula	C32H41N5O7S

Chemical Name	12'-hydroxy-2',5'alpha-diisopropylergotaman-3',6',18-trionemonomethanesulphonate
Chemicalbook ID	CB4894964
PubChem Substance ID	197756
InChI	InChI=1S/C31H39N5O5.CH4O3S/c1-16(2)26-28(38)35-11-7-10-24(35)31(40)36(26)29(39)30(41-31,17(3)4)33-27(37)19-12-21-20-8-6-9-22-25(20)18(14-32-22)13-23(21)34(5)15-19;1-5(2,3)4/h6,8-9,12,14,16-17,19,23-24,26,32,40H,7,10-11,13,15H2,1-5H3,(H,33,37);1H3,(H,2,3,4)/t19-,23-,24+,26-,30-,31+;/m1./s1

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