Ergosinine mixt. with 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;(6aS,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: Ergoclavine|Ergoclavin|Ergosinine Mixt. With Ergosine|Ergosine mixt. with ergosinine|Ergotaman-3',6',18-trione, 12'-hydroxy-2'-methyl-5'-(2-methylpropyl)-, (5'-alpha)-, mixt. with (5'-alpha,8-alpha)-12'-hydroxy-2'-methyl-5'-(2-methylpropyl)ergotaman-3',6',18-trione

Molecular Formula	C60H74N10O10
Molecular Weight	1094.559 g/mol
LogP	3.5884
Topological Polar Surface Area	236.0 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	12
Rotatable Bonds	8
Exact Mass	1094.559
Monoisotopic Mass	1094.559
Heavy Atoms	80
Complexity	1140.0

Chemical Identifiers

CAS Number	8052-85-5
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.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
InChIKey	LSFUOCCIMVIZMK-UKXVGAOYSA-N