Ergostine
Grundinformationen
- CAS
2854-38-8- Standard-SMILES
CC[C@@]1(NC(=O)[C@@H]2C=C3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O- InChIKey
BOLCFGMGGWCOOE-CTTKVJGISA-N- Summenformel
- C34H37N5O5
- Durchschnittliche Molmasse
- 595,7 g/mol
- Monoisotopische Masse
- 595,2794693
Überblick
ergostine has been reported in Festuca rubra with data available.
Namen und Bezeichner
- Bevorzugter Name
- Ergostine
- IUPAC
- (6aR,9R)-N-[(1S,2S,4R,7S)-7-benzyl-4-ethyl-2-hydroxy-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
Namen und Synonyme
Ergostine2854-38-88RM45QOC5P(6aR,9R)-N-[(1S,2S,4R,7S)-7-benzyl-4-ethyl-2-hydroxy-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-carboxamideErgotaman-3',6',18-trione, 2'-ethyl-12'-hydroxy-5'-(phenylmethyl)-, (5'alpha)-DTXSID10951231(6aR,9R)-N-((1S,2S,4R,7S)-7-benzyl-4-ethyl-2-hydroxy-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-carboxamideRefChem:137560DTXCID501379360UNII-8RM45QOC5PSCHEMBL25015102Ergotamine Tartrate EP Impurity C
Weitere Namen anzeigen
Ergotamine EP Impurity C (Free Base)FE30028ERGOTAMINE TARTRATE IMPURITY C [EP IMPURITY]Q15410939(6aR,9R)-N-((2R,5S,10aS,10bS)-5-benzyl-2-ethyl-10b-hydroxy-3,6-dioxooctahydro-2H-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(6AR,9R)-N-((2R,5S,10AS,10BS)-5-BENZYL-2-ETHYL-10B-HYDROXY-3,6-DIOXOOCTAHYDRO-8H-(1,3)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-CARBOXAMIDEErgostine; Ergotaman-3',6',18-trione, 2'-ethyl-12'-hydroxy-5'-(phenylmethyl)-, (5'a)-; Ergostine (7CI,8CI); (5'a)-2'-Ethyl-12'-hydroxy-5'-(phenylmethyl)ergotaman-3',6',18-trione; (6aR,9R)-N-[(2R,5S,10aS,10bS)-5-Benzyl-2-ethyl-10b-hydroxy-3,6-dioxooctahydro-8H-[1,3]oERGOTAMAN-3',6',18-TRIONE, 2'-ETHYL-12'-HYDROXY-5'-(PHENYLMETHYL)-, (5'.ALPHA.)-
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,6
- Polarare Oberfläche (TPSA)
- 118 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 44
- Formalladung
- 0
- Komplexität
- 1.240
Zugehörige Reaktionen
0
Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.
Notizen zur Verbindung
Wird geladen…