(4aR,16aS)-3,4,4a,5,16a,17,18,19-Octahydro-9,21,26-trimethoxy-4,17-dimethyl-2H-1,24:12,15-dietheno-6,10-metheno-16H-pyrido(2',3':17,18)(1,10)dioxacycloeicosino(2,3,4-ij)isoquinolin-22-ol
Grundinformationen
- CAS
10172-03-9- Standard-SMILES
COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc(OC)c(O)c3Oc3cc4c(cc3OC)CCN(C)[C@@H]4C2)CCN1C- InChIKey
YJRWQNIRFXVBRB-WDYNHAJCSA-N- Summenformel
- C37H40N2O6
- Durchschnittliche Molmasse
- 608,7 g/mol
Überblick
Homoaromoline has been reported in Thalictrum foliolosum, Stephania cephalantha, and other organisms with data available.
Namen und Bezeichner
- Bevorzugter Name
- (4aR,16aS)-3,4,4a,5,16a,17,18,19-Octahydro-9,21,26-trimethoxy-4,17-dimethyl-2H-1,24:12,15-dietheno-6,10-metheno-16H-pyrido(2',3':17,18)(1,10)dioxacycloeicosino(2,3,4-ij)isoquinolin-22-ol
- IUPAC
- (1R,14S)-6,20,25-trimethoxy-15,30-dimethyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-3(36),4,6,9(35),10,12(34),18,20,22(33),24,26,31-dodecaen-21-ol
- Englischer Name
- [1R,(+)]-6,6',12'-Trimethoxy-2,2'-dimethyloxyacanthan-7-ol
- Summenformel
- C37H40N2O6
- Molmasse
- 608.72
Namen und Synonyme
Homoaromoline17132-74-0DTXSID90169059(1R,14S)-6,20,25-trimethoxy-15,30-dimethyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-3(36),4,6,9(35),10,12(34),18,20,22(33),24,26,31-dodecaen-21-ol(4aR,16aS)-3,4,4a,5,16a,17,18,19-Octahydro-9,21,26-trimethoxy-4,17-dimethyl-2H-1,24:12,15-dietheno-6,10-metheno-16H-pyrido[2',3':17,18][1,10]dioxacycloeicosino[2,3,4-ij]isoquinolin-22-ol(1R,14S)-6,20,25-trimethoxy-15,30-dimethyl-8,23-dioxa-15,30-diazaheptacyclo(22.6.2.29,12.13,7.114,18.027,31.022,33)hexatriaconta-3(36),4,6,9(35),10,12(34),18,20,22(33),24,26,31-dodecaen-21-ol(4aR,16aS)-3,4,4a,5,16a,17,18,19-Octahydro-9,21,26-trimethoxy-4,17-dimethyl-2H-1,24:12,15-dietheno-6,10-metheno-16H-pyrido(2',3':17,18)(1,10)dioxacycloeicosino(2,3,4-ij)isoquinolin-22-olRefChem:1050457DTXCID6091550(+)-Homoaromoline6,6',12'-Trimethoxy-2,2'-dimethyloxyacanthan-7-olCHEMBL509855
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Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 6,3
- Polarare Oberfläche (TPSA)
- 72,9 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 8
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 45
- Formalladung
- 0
- Komplexität
- 963
Physikochemische Eigenschaften
- Schmelzpunkt
- 235 · 235-7°C
- Siedepunkt
- 709.7 · 709.7±60.0 °C(Predicted)
- Dichte
- 1.204 · 1.204±0.06 g/cm3(Predicted)
- pka
- 9.38 · 9.38±0.20(Predicted)
Chemie und Industrie
Anwendungen
BeschreibungA second bisbenzylisoquinoline base from Limacia cuspidata (Miers.) Hook. f. et Thorn., the alkaloid is separated from the accompanying !imacine by chromato graphy on a silica column. It crystallizes in colourless prisms from MeOH-Me2 CO and has [α]D + 110° (CHCI3). One hydroxyl group is present and the alkaloid yields the O-methyl ether as colourless needles, m.p. 210-2° C; [α]D + 90°, (CHCI3), shown to be identical with N-methyl-dihydroepistephanine B. The structure has been established by chemical interconversions with limacine and cuspidaline (q.v.).
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