Dihydroergotoxine mesylate

Iupac Name

(6aR,9R)-N-((2R,5S,10aS,10bS)-10b-hydroxy-5-isobutyl-2-methyl-3,6-dioxooctahydro-8H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)-7-methyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carbimidic acid--(6aR,9R)-N-((2R,5S,10aS,10bS)-10b-hydroxy-5-isopropyl-2-methyl-3,6-dioxooctahydro-8H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)-7-methyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carbimidic acid--(6aR,9R)-N-((2R,5S,10aS,10bS)-5-((S)-sec-butyl)-10b-hydroxy-2-methyl-3,6-dioxooctahydro-8H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)-7-methyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carbimidic acid--(6aR,9R)-N-((2R,5S,10aS,10bS)-5-benzyl-10b-hydroxy-2-methyl-3,6-dioxooctahydro-8H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)-7-methyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carbimidic acid--methanesulfonic acid (1/1/1/1/1)

Inchi Code

1S/C33H37N5O5.2C30H39N5O5.C29H37N5O5.CH4O3S/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32;1-16(2)11-23-27(37)34-10-6-9-24(34)30(39)35(23)28(38)29(3,40-30)32-26(36)18-12-20-19-7-5-8-21-25(19)17(14-31-21)13-22(20)33(4)15-18;1-5-16(2)25-27(37)34-11-7-10-23(34)30(39)35(25)28(38)29(3,40-30)32-26(36)18-12-20-19-8-6-9-21-24(19)17(14-31-21)13-22(20)33(4)15-18;1-15(2)24-26(36)33-10-6-9-22(33)29(38)34(24)27(37)28(3,39-29)31-25(35)17-11-19-18-7-5-8-20-23(18)16(13-30-20)12-21(19)32(4)14-17;1-5(2,3)4/h3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39);5,7-8,14,16,18,20,22-24,31,39H,6,9-13,15H2,1-4H3,(H,32,36);6,8-9,14,16,18,20,22-23,25,31,39H,5,7,10-13,15H2,1-4H3,(H,32,36);5,7-8,13,15,17,19,21-22,24,30,38H,6,9-12,14H2,1-4H3,(H,31,35);1H3,(H,2,3,4)/t21-,23?,25-,26+,27+,32-,33+;18-,20?,22-,23+,24+,29-,30+;16-,18+,20?,22+,23-,25-,29+,30-;17-,19?,21-,22+,24+,28-,29+;/m1101./s1

InChI key

HMMYROQEJAZVGJ-LVBQSUTCSA-N