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erythro-1-(.alpha.,3-dihydroxy-4-methoxybenzyl)-2,2-dimethyl-6,7-methylenedioxy-1,2,3,4-tetrahydroisoquinolinium chloride

View entire compound with spectra: 1 MS (GC)

erythro-1-(.alpha.,3-dihydroxy-4-methoxybenzyl)-2,2-dimethyl-6,7-methylenedioxy-1,2,3,4-tetrahydroisoquinolinium chloride
SpectraBase Compound ID 3W0MOoiNnwj
InChI InChI=1S/C20H23NO5.ClH/c1-21(2)7-6-12-9-17-18(26-11-25-17)10-14(12)19(21)20(23)13-4-5-16(24-3)15(22)8-13;/h4-5,8-10,19-20,23H,6-7,11H2,1-3H3;1H/t19-,20+;/m0./s1
InChIKey JCZNJWMTBVEPIP-CMXBXVFLSA-N
Mol Weight 393.87 g/mol
Molecular Formula C20H24ClNO5
Exact Mass 393.134301 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1F9MB5yMIga
Name erythro-1-(.alpha.,3-dihydroxy-4-methoxybenzyl)-2,2-dimethyl-6,7-methylenedioxy-1,2,3,4-tetrahydroisoquinolinium chloride
Alternate Name(s) (5S)-5-[(R)-hydroxy(3-hydroxy-4-methoxyphenyl)methyl]-6,6-dimethyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride
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Formula C20H24ClNO5
InChI InChI=1S/C20H23NO5.ClH/c1-21(2)7-6-12-9-17-18(26-11-25-17)10-14(12)19(21)20(23)13-4-5-16(24-3)15(22)8-13;/h4-5,8-10,19-20,23H,6-7,11H2,1-3H3;1H/t19-,20+;/m0./s1
InChIKey JCZNJWMTBVEPIP-CMXBXVFLSA-N
Molecular Weight 393.867 g/mol
SMILES [Cl-].Oc1cc([C@]([C@@]2(c3c(cc4c(c3)OCO4)CC[N+]2(C)C)[H])(O)[H])ccc1OC
SPLASH splash10-0udm-0900000000-ec076b1b36a03dee87c5
Source of Spectrum B-42-2263-34
Wiley ID 1366232