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(8.beta.)-8-methylcanadine
SpectraBase Compound ID JWOqgiqNDm5
InChI InChI=1S/C21H23NO4/c1-12-20-14(4-5-17(23-2)21(20)24-3)8-16-15-10-19-18(25-11-26-19)9-13(15)6-7-22(12)16/h4-5,9-10,12,16H,6-8,11H2,1-3H3/t12-,16-/m0/s1
InChIKey AASYYPUSFKCGBB-LRDDRELGSA-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 GKYljXFbAPI
Name (8.beta.)-8-methylcanadine
CAS Registry Number 104700-16-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23NO4
InChI InChI=1S/C21H23NO4/c1-12-20-14(4-5-17(23-2)21(20)24-3)8-16-15-10-19-18(25-11-26-19)9-13(15)6-7-22(12)16/h4-5,9-10,12,16H,6-8,11H2,1-3H3/t12-,16-/m0/s1
InChIKey AASYYPUSFKCGBB-LRDDRELGSA-N
Molecular Weight 353.418 g/mol
SMILES [C@@]12(N(CCc3cc4OCOc4cc23)[C@](c2c(c(ccc2C1)OC)OC)(C)[H])[H]
SPLASH splash10-000i-0309000000-3ae68ac282012a0e15bf
Source of Spectrum I-65-731-8
Synonyms (8S,13aS)-9,10-dimethoxy-8-methyl-5,8,13,13a-tetrahydro-6H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline
Wiley ID 1344028