Dihydro-beta-ergocryptine mesylate

Molecular Formula: C33H47N5O8S


InChI: InChI=1/C32H43N5O5.CH4O3S/c1-6-18(4)27-29(39)36-12-8-11-25(36)32(41)37(27)30(40)31(42-32,17(2)3)34-28(38)20-13-22-21-9-7-10-23-26(21)19(15-33-23)14-24(22)35(5)16-20;1-5(2,3)4/h7,9-10,15,17-18,20,22,24-25,27,33,41H,6,8,11-14,16H2,1-5H3,(H,34,38);1H3,(H,2,3,4)/t18-,20+,22+,24+,25-,27-,31+,32-;/m0./s1/f/h34H;2H

InChIKey: InChIKey=YKEUOHBRJUALFI-OGLHUOAMDU
SMILES: CCC(C)C1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CC5C(CC6=CNC7=CC=CC5=C67)N(C4)C)O.CS(=O)(=O)O

Names:
    C14054
    Dihydro-beta-ergocryptine mesylate
    65914-79-6

Registries:
    PubChem CID 656853
    PubChem ID 854292