Stemonine
Grundinformationen
- CAS
69772-72-1- Standard-SMILES
CCC1C2C(CCCN3C(C4CC(C)C(=O)O4)CCC23)OC12C=C(C)C(=O)O2- InChIKey
UINUUSQOLRQGNF-UHFFFAOYSA-N- Summenformel
- C22H31NO5
- Durchschnittliche Molmasse
- 389,5 g/mol
- Monoisotopische Masse
- 389,22022309
Überblick
Stemonine has been reported in Stemona japonica and Stemona pierrei with data available.
Namen und Bezeichner
- Bevorzugter Name
- Stemonine
- IUPAC
- 3-ethyl-3'-methyl-11-(4-methyl-5-oxooxolan-2-yl)spiro[5-oxa-10-azatricyclo[8.3.0.02,6]tridecane-4,5'-furan]-2'-one
- Englischer Name
- Spiro[furan-2(5H),2'-[2H]furo[3,2-c]pyrrolo[1,2-a]azepin]-5-one,1'-ethyl-1',3'a,4',5',6',8',9',10',10'a,10'b-decahydro-4-methyl-8'-[(2R,4R)-tetrahydro-4-methyl-5-oxo-2-furanyl]-,(1'R,2S,3'aS,8'R,10'aR,10'bS)-rel-(-)-
- Summenformel
- C22H31NO5
- Molmasse
- 389.49
Namen und Synonyme
Stemonine3-ethyl-3'-methyl-11-(4-methyl-5-oxooxolan-2-yl)spiro[5-oxa-10-azatricyclo[8.3.0.02,6]tridecane-4,5'-furan]-2'-one3-ethyl-3'-methyl-11-(4-methyl-5-oxooxolan-2-yl)spiro(5-oxa-10-azatricyclo(8.3.0.02,6)tridecane-4,5'-furan)-2'-oneRefChem:18551827498-90-469772-72-1SCHEMBL29400573DTXSID509899521'-Ethyl-4-methyl-8'-(4-methyl-5-oxooxolan-2-yl)-1',3'a,4',5',6',8',9',10',10'a,10'b-decahydro-5H-spiro[furan-2,2'-furo[3,2-c]pyrrolo[1,2-a]azepin]-5-oneSpiro(furan-2(5H),2'-(2H)-furo(3,2-c)pyrrolo(1,2-a)azepin)-5-one, 1'-ethyl-1',3'a,4',5',6',8',9',10',10'a,10'b-decahydro-4-methyl-8'-(tetrahydro-4-methyl-5-oxo-2-furanyl)-StemoninineSpiro[furan-2(5H),2'-[2H]furo[3,2-c]pyrrolo[1,2-a]azepin]-5-one,1'-ethyl-1',3'a,4',5',6',8',9',10',10'a,10'bChemicalbook-decahydro-4-methyl-8'-[(2R,4R)-tetrahydro-4-methyl-5-oxo-2-furanyl]-,(1'R,2S,3'
Weitere Namen anzeigen
Spiro[furan-2(5H),2'-[2H]furo[3,2-c]pyrrolo[1,2-a]azepin]-5-one, 1'-ethyl-1',3'a,4',5',6',8',9',10',10'a,10'b-decahydro-4-methyl-8'-[(2S,4S)-tetrahydro-4-methyl-5-oxo-2-furanyl]-, (1'S,2R,3'aR,8'S,10'aS,10'bR)-
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,4
- Polarare Oberfläche (TPSA)
- 65,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 28
- Formalladung
- 0
- Komplexität
- 720
Physikochemische Eigenschaften
- Schmelzpunkt
- 113 · 113-115 °C
- Siedepunkt
- 594.2 · 594.2±50.0 °C(Predicted)
- Dichte
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- pka
- 8.92 · 8.92±0.70(Predicted)
Chemie und Industrie
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