Ergosine

(6aR,9R)-N-[(1S,2S,4R,7S)-2-hydroxy-4-methyl-7-(2-methylpropyl)-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

Also Known As: Ergosine|alpha-Ergosine|Ergosinine|ergosin|Ergosine (Ergoclavine)|ERGOSINE [MI]|EINECS 209-226-6|R976|4-25-00-00961 (Beilstein Handbook Reference)|(6aR,9R)-N-[(1S,2S,4R,7S)-2-hydroxy-4-methyl-7-(2-methylpropyl)-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide|(5'alpha)-12'-hydroxy-2'-methyl-5'-(2-methylpropyl)-3',6',18-trioxoergotaman|12'-hydroxy-2'-methyl-5' alpha-(2-methylpropyl)-8 alpha-ergotaman-3',6',18-trione|(5'alpha)-12'-hydroxy-5'-isobutyl-2'-methyl-3',6',18-trioxoergotaman|(5'alpha)-12'-hydroxy-2'-methyl-5'-(2-methylpropyl)ergotaman-3',6',18-trione|Ergotaman-3',6',18-trione, 12'-hydroxy-2'-methyl-5'-(2-methylpropyl)-, (5'-alpha)-|Ergotaman-3',6',18-trione,12'-hydroxy-2'-methyl-5'-(2-methyl|12'-Hydroxy-2'-methyl-5'alpha-(2-methylpropyl)-3',6',18-trioxoergotaman|(5'-alpha)-12'-Hydroxy-2'-methyl-5'-(2-methylpropyl)ergotaman-3',6',18-trione|12 -Hydroxy-2 -methyl-5 alpha-(2-methylpropyl)ergotaman-3 ,6 ,18-trione|Ergotaman-3',6',18-trione,12'-hydroxy-2'-methyl-5'-(2-methylpropyl)-, (5'a)-|(4R,7R)-N-[(1S,2S,4R,7S)-2-hydroxy-4-methyl-7-(2-methylpropyl)-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,9,12,14-pentaene-4-carboxamide|(6aR,9R)-N-((1S,2S,4R,7S)-2-hydroxy-4-methyl-7-(2-methylpropyl)-5,8-dioxo-3-oxa-6,9-diazatricyclo(7.3.0.02,6)dodecan-4-yl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo(4,3-fg)quinoline-9-carboxamide|(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-hexahydroindolo[4,3-fg]quinoline-9-carboxamide|209-226-6|Ergosine (6CI,7CI,8CI); (5'a)-12'-Hydroxy-2'-methyl-5'-(2-methylpropyl)ergotaman-3',6',18-trione; 8H-Oxazolo[3,2-a]pyrrolo[2,1-c]pyrazine, ergotaman-3',6',18-trione deriv.; Indolo[4,3-fg]quinoline, ergotaman-3',6',18-trione deriv.; NSC 122047; a-Ergosine

Molecular Formula	C30H37N5O5
Molecular Weight	547.2795 g/mol
LogP	1.79
Topological Polar Surface Area	118.21 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	6
Rotatable Bonds	4
Exact Mass	547.2795
Heavy Atoms	40
Complexity	1465.5

Chemical Identifiers

CAS Number	561-94-4
SMILES	CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C)NC(=O)[C@H]4CN([C@@H]5CC6=CNC7=CC=CC(=C67)C5=C4)C)O