(1S,2S,3R,6Z,7S,9R,10S)-6-ethylidene-3-hydroxy-11,20-dimethyl-4,21-dioxa-11,20-diazahexacyclo[8.7.3.22,9.01,10.02,7.012,17]docosa-12,14,16-trien-22-one
Grundinformationen
- CAS
16843-68-8- Standard-SMILES
C/C=C1\CO[C@@H](O)[C@]23C(=O)O[C@H](C[C@@H]12)[C@]12N(C)CC[C@]31c1ccccc1N2C- InChIKey
LKCWICFZIMFWBP-LZCMUJPSSA-N- Summenformel
- C22H26N2O4
- Durchschnittliche Molmasse
- 382,5 g/mol
Namen und Bezeichner
- Bevorzugter Name
- (1S,2S,3R,6Z,7S,9R,10S)-6-ethylidene-3-hydroxy-11,20-dimethyl-4,21-dioxa-11,20-diazahexacyclo[8.7.3.22,9.01,10.02,7.012,17]docosa-12,14,16-trien-22-one
- IUPAC
- (1S,2S,3R,6Z,7S,9R,10S)-6-ethylidene-3-hydroxy-11,20-dimethyl-4,21-dioxa-11,20-diazahexacyclo[8.7.3.22,9.01,10.02,7.012,17]docosa-12,14,16-trien-22-one
- Englischer Name
- (4E,4aS)-4-Ethylidene-4,4a,5,6-tetrahydro-1α-hydroxy-7,16-dimethyl-1H,3H,7H-6β,11cβ-(epoxymethano)-6aα,11bα-(iminoethano)pyrano[4,3-c]carbazol-12-one
- Summenformel
- C22H26N2O4
- Molmasse
- 382.45
Namen und Synonyme
Isocorymine(4E,4aS)-4-Ethylidene-4,4a,5,6-tetrahydro-1α-hydroxy-7,16-dimethyl-1H,3H,7H-6β,11cβ-(epoxymethano)-6aα,11bα-(iminoethano)pyrano[4,3-c]carbazol-12-one1H,3H,7H-6,11c-(Epoxymethano)-6a,11b-(iminoethano)pyrano[4,3-c]carbazol-12-one, 4-ethylidene-4,4a,5,6-tetrahydro-1-hydroxy-7,16-dimethyl-, (1R,4E,4aR,6S,6aS,11bS,11cR)-
Datenbank-Bezeichner
- CAS
16843-68-8
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,3
- Polarare Oberfläche (TPSA)
- 62,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 28
- Formalladung
- 0
- Komplexität
- 770
Physikochemische Eigenschaften
- Schmelzpunkt
- 83 · l83-5°C
- Siedepunkt
- 614.1 · 614.1±55.0 °C(Predicted)
- Dichte
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- pka
- 12 · 12.00±0.20(Predicted)
Chemie und Industrie
Anwendungen
BeschreibungThe alkaloidal extract of Hunteria urnbellata (K Schum) Stapf. may be treated chromatographically to yield this minor constituent which forms colourless crystals when purified from propanol. It is strongly laevorotatory with [α]D - 243°. Two methylimino groups, a hydroxyl and a lactone ring are present. The base gives a crystalline O-acetate, m.p. 160°C. The original structure has been revised to that given above on the basis of NMR and mass spectra.
Zugehörige Reaktionen
0
Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.
Notizen zur Verbindung
Wird geladen…