Steporphine
Grundinformationen
- CAS
24191-98-8- Standard-SMILES
CN1C[C@@H](O)c2cc3c(c4c2[C@H]1Cc1ccccc1-4)OCO3- InChIKey
RCKNRLRYLSSRKX-ZIAGYGMSSA-N- Summenformel
- C18H17NO3
- Durchschnittliche Molmasse
- 295,3 g/mol
- Monoisotopische Masse
- 295,1208434
Namen und Bezeichner
- Bevorzugter Name
- Steporphine
- IUPAC
- (9S,12R)-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaen-9-ol
- Englischer Name
- STEPORPHINE
- Summenformel
- C18H17NO3
- Molmasse
- 295.33
Namen und Synonyme
Steporphine24191-98-8CCRIS 38106a-beta-Aporphin-4-alpha-ol, 1,2-(methylenedioxy)-5H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinolin-5-ol, 6,7,7a,8-tetrahydro-7-methyl-, (5S,7aR)-6,7,7a,8-Tetrahydro-7-methyl-5H-benzo(g)-1,3-benzodioxolo(6,5,5-de)quinolin-5-ol (5S-trans)-DTXSID209470095H-Benzo(g)-1,3-benzodioxolo(6,5,5-de)quinolin-5-ol, 6,7,7a,8-tetrahydro-7-methyl-, (5S-trans)-7-Methyl-6,7,7a,8-tetrahydro-2H,5H-[1,3]benzodioxolo[6,5,4-de]benzo[g]quinolin-5-ol(5S,7aR)-7-Methyl-6,7,7a,8-tetrahydro-2H,5H-[1,3]benzodioxolo[6,5,4-de]benzo[g]quinolin-5-ol5H-Benzo[g]-1,3-benzodioxolo[6,5,4-de]quinolin-5-ol, 6,7,7a,8-tetrahydro-7-methyl-, (5S,7aR)- (9CI)
Datenbank-Bezeichner
- CAS
24191-98-8- PubChem CID
- 155631
- DTXSID
DTXSID20947009- Nikkaji
- J522.961H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,2
- Polarare Oberfläche (TPSA)
- 41,9 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 22
- Formalladung
- 0
- Komplexität
- 444
Physikochemische Eigenschaften
- Schmelzpunkt
- 177 · 177-9°C
Chemie und Industrie
Anwendungen
BeschreibungA simple aporphine alkaloid found in Stephania sasakii Hayata, the alkaloid has [α]D - 90.6° (MeOH) and forms pale yellow needles when crystallized from Me2CO-Et20. The alkaloid occurs in the non-phenolic fraction of the alkaloidal extract from the plant and with AC20 in pyridine forms the O-acetate. The structure of the base has been determined by spectroscopic methods. The absolute configuration of the 6 -position has been established as R from the ORD determinations but as yet the steric configuration of the hydroxyl group remains to be clarified.
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