Micranthine
Grundinformationen
- CAS
36104-64-0- Standard-SMILES
COc1cc2c3c4c1Oc1cc5c(cc1O4)[C@@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@H]3N(C)CC2)NCC5- InChIKey
AFGMWONXXNDGGE-CLJLJLNGSA-N- Summenformel
- C34H32N2O5
- Durchschnittliche Molmasse
- 548,6 g/mol
- Monoisotopische Masse
- 548,23112213
Überblick
micranthine has been reported in Achillea micrantha with data available.
Namen und Bezeichner
- Bevorzugter Name
- Micranthine
- IUPAC
- (8R,21R)-27-methoxy-22-methyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.216,19.14,30.110,14.03,8.025,33.028,32]heptatriaconta-1(30),2,4(34),10(37),11,13,16,18,25,27,32,35-dodecaen-13-ol
- Englischer Name
- (1α)-6',7-Oxy-6-methoxy-2-methyloxyacanthan-12'-ol
- Summenformel
- C34H32N2O5
- Molmasse
- 548.64
Namen und Synonyme
MicranthineMicranthine [MI]UNII-EQY423775UEQY423775U36104-64-02H-22,26-Epoxy-1,24:12,15-dietheno-6,10-metheno-16H-pyrido(2',3':17,18)(1,10)dioxacycloeicosino(2,3,4-ij)isoquinolin-9-ol, 3,4,4a,5,16a,17,18,19-octahydro-21-methoxy-17-methyl-, (4aR,16aR)-(8R,21R)-27-methoxy-22-methyl-15,29,31-trioxa-7,22-diazaoctacyclo(19.9.3.216,19.14,30.110,14.03,8.025,33.028,32)heptatriaconta-1(30),2,4(34),10(37),11,13,16,18,25,27,32,35-dodecaen-13-ol(8R,21R)-27-methoxy-22-methyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.216,19.14,30.110,14.03,8.025,33.028,32]heptatriaconta-1(30),2,4(34),10(37),11,13,16,18,25,27,32,35-dodecaen-13-olRefChem:158518Q27277318(1α)-6',7-Oxy-6-methoxy-2-methyloxyacanthan-12'-ol2H-22,26-Epoxy-1,24:12,15-dietheno-6,10-metheno-16H-pyrido[2',3':17,18][1,10]dioxacycloeicosino[2,3,4-ij]isoquinolin-9-ol, 3,4,4a,5,16a,17,18,19-octahydro-21-methoxy-17-methyl-, (4aR,16aR)- (9CI)
Datenbank-Bezeichner
- CAS
36104-64-0
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 5,5
- Polarare Oberfläche (TPSA)
- 72,4 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 7
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 41
- Formalladung
- 0
- Komplexität
- 914
Physikochemische Eigenschaften
- Schmelzpunkt
- 194 · 194-196°
- Dichte
- 1.284 · 1.284±0.06 g/cm3(Predicted)
- pka
- 9.42 · 9.42±0.20(Predicted)
Chemie und Industrie
Anwendungen
BeschreibungA constituent of Daphnandra rnicrantha Benth, this alkaloid crystallizes as colQurless needles from Me2CO or AcOEt and has the above melting point after sintering at 185°C. When crystallized from CHC13 the base contains 0.5 mole of solvent which may be removed by dryJng at 100°C. The alkaloid is laevorotatory with [0!]~2 - 231° (CHCI3). It is readily soluble in CHC13 or EtOH, sparingly so in MeOH, C6H6 or AcOEt and almost insoluble in Et20. The only crystalline salts so far obtained are the normal sulphate decahydrate, fine colourless needles from H20, m.p. 312°C (dec.) and the acid sulphate, colourless needles with 2.5 H20, m.p. 305-31 O°C (dec.). With Frohde's reagent, the base gives an indigo colour gradually changing to green. The original formula of C34Hn06N2 has recently been revised to that given.
Zugehörige Reaktionen
0
Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.
Notizen zur Verbindung
Wird geladen…