CAS 5550-75-4 2'-Epi-9,10-dihydroergotamine - Analytical Products / Alfa Chemistry

CAT	APS5550754A
CAS	5550-75-4
Structure
Synonyms	2'-epi-9,10-dihydroergotamine, Aciergotamine, dihydro- (6CI,7CI), (6aR,9R,10aR)-N-[(2S,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,7,8,9,10,10aoctahydroindolo[4,3-fg]quinoline-9-carboxamide, Aci-Dihydroergotamine,(2'β,5'α)-9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)ergotaman-3',6',18-trione, 2'-Epidihydroergotamine, Dihydroergotamine Mesilate Imp. D (EP)
Molecular Weight	583.68
Molecular Formula	C33H37N5O5
Canonical SMILES	CN1C[C@@H](C[C@H]2[C@H]1Cc3c[nH]c4cccc2c34)C(=O)N[C@@]5(C)O[C@@]6(O)[C@@H]7CCCN7C(=O)[C@H](Cc8ccccc8)N6C5=O
InChI	InChI=1S/C33H37N5O5/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/h3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39)/t21-,23-,25-,26+,27+,32+,33+/m1/s1