Stemospironine
Grundinformationen
- CAS
66267-46-7- Standard-SMILES
CO[C@@H]1CCCN2[C@@H](CC[C@H]2[C@@H]2C[C@H](C)C(=O)O2)[C@@]12C[C@@H](C)C(=O)O2- InChIKey
TZPKEJFBTXRNTK-VNIFOTPGSA-N- Summenformel
- C19H29NO5
- Durchschnittliche Molmasse
- 351,4 g/mol
- Monoisotopische Masse
- 351,20457303
Überblick
See also: Stemonidine (annotation moved to).
Namen und Bezeichner
- Bevorzugter Name
- Stemospironine
- IUPAC
- (3S,3'R,8R,9S,9aS)-8-methoxy-3'-methyl-3-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]spiro[1,2,3,5,6,7,8,9a-octahydropyrrolo[1,2-a]azepine-9,5'-oxolane]-2'-one
- Englischer Name
- stemospironine
- Summenformel
- C19H29NO5
- Molmasse
- 351.44
Namen und Synonyme
stemospironineStemonidineSCHEMBL20830109(2S,3'S,4R,8'R,9'aS)-Decahydro-8'-methoxy-4-methyl-3'-[(2S,4S)-tetrahydro-4-methyl-5-oxo-2-furanyl]spiro[furan-2(5H),9'-[9H]pyrrolo[1,2-a]azepin]-5-one; Stemospironine(3S,3'R,8R,9S,9aS)-8-methoxy-3'-methyl-3-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]spiro[1,2,3,5,6,7,8,9a-octahydropyrrolo[1,2-a]azepine-9,5'-oxolane]-2'-oneStemonidine（Stemospironine）(2S,3'S,4R,8'R,9'aS)-Decahydro-8'-methoxy-4-methyl-3'-[(2S,4S)-tetrahydro-4-methyl-5-oxo-2-furanyl]-spiro[furan-2(5H),9'-[9H]pyrrolo[1,2-a]azepin]-5-oneSpiro[furan-2(5H),9'-[9H]pyrrolo[1,2-a]azepin]-5-one, decahydro-8'-methoxy-4-methyl-3'-[(2S,4S)-tetrahydro-4-methyl-5-oxo-2-furanyl]-, (2S,3'S,4R,8'R,9'aS)-(2S,3'S,4R,9'aβ)-3,4,1',2',3',5',6',7',8',9'a-Decahydro-8'β-methoxy-4-methyl-3'β-[(2S,4S)-tetrahydro-4-methyl-5-oxofuran-2-yl]spiro[furan-2(5H),9'-[9H]pyrrolo[1,2-a]azepin]-5-one
Datenbank-Bezeichner
- CAS
66267-46-7- PubChem CID
- 11221878
- Nikkaji
- J37.260I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,3
- Polarare Oberfläche (TPSA)
- 65,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 25
- Formalladung
- 0
- Komplexität
- 566
Physikochemische Eigenschaften
- Schmelzpunkt
- 273 · 273-275℃
- Siedepunkt
- 540.006 · 540.006±50.00 °C(Press: 760.00 Torr)(predicted)
- Dichte
- 1.21 · 1.21
- pka
- 7.908 · 7.908±0.70(predicted)
- CAS Datenbank
- 66267 · 66267-46-7
Chemie und Industrie
Anwendungen
OccurrenceA constituent of Stevia japonica, this alkaloid forms a white powder and is laevorotatory with a specific rotation of [α]D -8.2° (c 0.92. CHCl3). It has been characterized as the crystalline hydrobromide with m.p. 283-284°C (dec.). It has been characterized as the crystalline hydrobromide with m.p. 283-284°C (dec.).
VerwendenStemonidine is an alkaloid extracted from Stemona sessilifolia which acts as an insecticidal present in the leaves, stems and roots, as well as an alkaloidal constituents of interest that displays antitussive activity.
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