Jacozine
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Jacozine
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CAS No:
5532-23-0
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Formula:
C18H23NO6
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Chemical Name:
Jacozine
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Synonyms:
Spiro[[1,6]dioxacyclododecino[2,3,4-gh]pyrrolizine-3(2H),2′-oxirane]-2,7(4H)-dione,5,6,9,11,13,14,14a,14b-octahydro-6-hydroxy-3′,6-dimethyl-5-methylene-,(2′S,3′S,6R,14aR,14bR)-;Jacozine;Senecionan-11,16-dione,13,19-didehydro-15,20-epoxy-15,20-dihydro-12-hydroxy-,(15α,20S)-;(2′S,3′S,6R,14aR,14bR)-5,6,9,11,13,14,14a,14b-Octahydro-6-hydroxy-3′,6-dimethyl-5-methylenespiro[[1,6]dioxacyclododecino[2,3,4-gh]pyrrolizine-3(2H),2′-oxirane]-2,7(4H)-dione;Spiro[[1,6]dioxacyclododecino[2,3,4-gh]pyrrolizine-3(2H),2′-oxirane]-2,7(4H)-dione,5,6,9,11,13,14,14a,14b-octahydro-6-hydroxy-3′,6-dimethyl-5-methylene-,[3S-[3R*(R*),6S*,14aS*,14bS*]]-
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CAS No:
Description
Jacozine is a pyrrolizine alkaloid that is seneciphylline in which the exocyclic double bond has been converted to the corresponding epoxide. It has a role as a Jacobaea metabolite. It is a macrocyclic lactone, an organic heterotricyclic compound, a pyrrolizine alkaloid, a spiro-epoxide, a tertiary alcohol and a tertiary amino compound. It derives from a seneciphylline.
Analysis Methods
| Name | Column Shape | Active Phase(℃) | Retention index | Temperature Control | Method | Comments | Reference |
|---|---|---|---|---|---|---|---|
| Van Den Dool and Kratz RI, non-polar column, temperature ramp | Capillary | DB-1 | 2460. | temperature ramp | He, 6. K/min; Column length: 30. m; Column diameter: 0.32 mm; Tstart: 150. C; Tend: 300. C | Witte, L.Rubiolo, P.Bicchi, C.Hartmann, T.Comparative analysis of pyrrolizidine alkaloids from natural sources by gas chromatography-mass spectrometryPhytochemistry1992, 32, 1, 187-196. | |
| Van Den Dool and Kratz RI, non-polar column, temperature ramp | Capillary | OV-1 | 2466. | temperature ramp | 25. m/0.25 mm/0.5 μm, H2, 6. K/min; Tstart: 150. C; Tend: 300. C | Witte, L.Rubiolo, P.Bicchi, C.Hartmann, T.Comparative analysis of pyrrolizidine alkaloids from natural sources by gas chromatography-mass spectrometryPhytochemistry1992, 32, 1, 187-196. |
Computed Properties
Molecular Weight:349.4
XLogP3:-0.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Exact Mass:349.15253745
Monoisotopic Mass:349.15253745
Topological Polar Surface Area:88.6
Heavy Atom Count:25
Complexity:687
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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