(5Z)-4-Methoxy-3-methyl-5-((3aR,10aS,10bR)-1-methyl-8-((2S,4S)-4-methyl-5-oxooxolan-2-yl)decahydro-2H-furo(3,2-c)pyrrolo(1,2-a)azepin-2-ylidene)furan-2(5H)-one
Grundinformationen
- CAS
27495-40-5- Standard-SMILES
COC1=C(C)C(=O)O/C1=C1\O[C@@H]2CCCN3[C@@H](CC[C@H]3[C@@H]3C[C@H](C)C(=O)O3)[C@H]2[C@@H]1C- InChIKey
JDGNFRYDHRYXNL-ROHJGGRPSA-N- Summenformel
- C23H31NO6
- Durchschnittliche Molmasse
- 417,5 g/mol
- Monoisotopische Masse
- 417,21513771
Überblick
Protostemonine is a natural product found particularly in Stemona and Stemona. It has a role as a metabolite.
Namen und Bezeichner
- Bevorzugter Name
- (5Z)-4-Methoxy-3-methyl-5-((3aR,10aS,10bR)-1-methyl-8-((2S,4S)-4-methyl-5-oxooxolan-2-yl)decahydro-2H-furo(3,2-c)pyrrolo(1,2-a)azepin-2-ylidene)furan-2(5H)-one
- IUPAC
- (5Z)-4-methoxy-3-methyl-5-[(1S,2R,3S,6R,11S)-3-methyl-11-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-5-oxa-10-azatricyclo[8.3.0.02,6]tridecan-4-ylidene]furan-2-one
- Englischer Name
- (3S,5S)-5-[(1S,2Z,3aβ,10aα,10bα)-Decahydro-2-(2,5-dihydro-3-methoxy-4-methyl-5-oxofuran-2-ylidene)-1α-methyl-2H-furo[3,2-c]pyrrolo[1,2-a]azepin-8α-yl]-4,5-dihydro-3-methylfuran-2(3H)-one
- Summenformel
- C23H31NO6
- Molmasse
- 417.5
Namen und Synonyme
DTXSID70649501(5Z)-4-Methoxy-3-methyl-5-((3aR,10aS,10bR)-1-methyl-8-((2S,4S)-4-methyl-5-oxooxolan-2-yl)decahydro-2H-furo(3,2-c)pyrrolo(1,2-a)azepin-2-ylidene)furan-2(5H)-one(5Z)-4-Methoxy-3-methyl-5-{(3aR,10aS,10bR)-1-methyl-8-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]decahydro-2H-furo[3,2-c]pyrrolo[1,2-a]azepin-2-ylidene}furan-2(5H)-oneRefChem:1050630DTXCID50600251Protostemonine27495-40-5(5Z)-4-methoxy-3-methyl-5-[(1S,2R,3S,6R,11S)-3-methyl-11-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-5-oxa-10-azatricyclo[8.3.0.02,6]tridecan-4-ylidene]furan-2-oneMFCD12031634SCHEMBL29438475CHEBI:69387HY-N1954
Weitere Namen anzeigen
https://www.chemicalbook.com/ProdSupplierGNCB72418817.htm(3S,5S)-5-[(1S,2Z,3aβ,10aα,10bα)-Decahydro-2-(2,5-dihydro-3-methoxy-4-methyl-5-oxofuran-2-ylidene)-1α-methyl-2H-furo[3,2-c]pyrrolo[1,2-a]azepin-8α-yl(3S,5S)-5-[(1S,2Z,3aβ,10aα,10bα)-Decahydro-2-(2,5-dihydro-3-methoxy-4-methyl-5-oxofuran-2-ylidene)-1α-methyl-2H-furo[3,2-c]pyrrolo[1,2-a]azepin-8α-yl]
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3
- Polarare Oberfläche (TPSA)
- 74,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 7
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 30
- Formalladung
- 0
- Komplexität
- 832
Physikochemische Eigenschaften
- Schmelzpunkt
- 172 ℃ · 172℃
- Siedepunkt
- 594.1 · 594.1±50.0 °C(Predicted)
- Dichte
- 1.27 · 1.27
- pka
- 8.77 · 8.77±0.60(Predicted)
Chemie und Industrie
Anwendungen
BeschreibungThe roots of Sternona japonica contain this complex alkaloid which forms colourless crystals from MeOH containing solvent of crystallization. The base is dextrorotatory with [α]D + 147.8° and the ultraviolet spectrum shows a broad absorption maximum at 305 m/J.. The picrolonate has been prepared as yellow needles, m.p. 237°C. The structure given above is based upon X-ray crystallo_x0002_graphic analysis of the MeOH solvate and on the already established configuration of Stemonine (q.v.).
VerwendenProtostemonine is an alkaloid which provided protective effects of protostemonine in LPS/GalN-induced acute liver failure.
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