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Thalictrifoline
SpectraBase Compound ID DGfhlSnef5f
InChI InChI=1S/C21H23NO4/c1-12-14-4-5-17-21(26-11-25-17)16(14)10-22-7-6-13-8-18(23-2)19(24-3)9-15(13)20(12)22/h4-5,8-9,12,20H,6-7,10-11H2,1-3H3/t12-,20-/m1/s1
InChIKey JTZZGWPIBBTYNE-MPBGBICISA-N
Mol Weight 353.42 g/mol
Molecular Formula C21H23NO4
Exact Mass 353.162708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Zmfw3KUG1E
Name (+)-Thalictrifoline
Alternate Name(s) (-)-Cavidine (6R,6aR)-8,9-dimethoxy-6-methyl-6,11,12,14-tetrahydro-6aH-[1,3]dioxolo[4,5-h]isoquino[2,1-b]isoquinoline
CAS Registry Number 79082-01-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23NO4
InChI InChI=1S/C21H23NO4/c1-12-14-4-5-17-21(26-11-25-17)16(14)10-22-7-6-13-8-18(23-2)19(24-3)9-15(13)20(12)22/h4-5,8-9,12,20H,6-7,10-11H2,1-3H3/t12-,20-/m1/s1
InChIKey JTZZGWPIBBTYNE-MPBGBICISA-N
Molecular Weight 353.418 g/mol
SMILES [C@]12(N(CCc3cc(c(cc23)OC)OC)Cc2c([C@]1(C)[H])ccc1c2OCO1)[H]
SPLASH splash10-0ik9-0905000000-edcea702e07dd0814248
Source of Spectrum J-46-4749-0
Wiley ID 1344013