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(3R,4R)-3,4-Diallyl-N-(2,2-diethoxyethyl)-4-hydroxy-6,7-methylenedioxy-1,2,3,4-tetrahydroisoquinoline
SpectraBase Compound ID 6ojMFHspS1R
InChI InChI=1S/C22H31NO5/c1-5-9-20-22(24,10-6-2)17-12-19-18(27-15-28-19)11-16(17)13-23(20)14-21(25-7-3)26-8-4/h5-6,11-12,20-21,24H,1-2,7-10,13-15H2,3-4H3/t20-,22-/m1/s1
InChIKey RRQLATMJIDZRCJ-IFMALSPDSA-N
Mol Weight 389.49 g/mol
Molecular Formula C22H31NO5
Exact Mass 389.220223 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HrxvNX1hXFR
Name (3R,4R)-3,4-Diallyl-N-(2,2-diethoxyethyl)-4-hydroxy-6,7-methylenedioxy-1,2,3,4-tetrahydroisoquinoline
Alternate Name(s) (7R,8R)-7,8-diallyl-6-(2,2-diethoxyethyl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-8-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H31NO5
InChI InChI=1S/C22H31NO5/c1-5-9-20-22(24,10-6-2)17-12-19-18(27-15-28-19)11-16(17)13-23(20)14-21(25-7-3)26-8-4/h5-6,11-12,20-21,24H,1-2,7-10,13-15H2,3-4H3/t20-,22-/m1/s1
InChIKey RRQLATMJIDZRCJ-IFMALSPDSA-N
Literature Reference DOI 10.1002/adsc.200404102
Molecular Weight 389.492 g/mol
SMILES O[C@@]1(c2c(cc3c(OCO3)c2)CN(CC(OCC)OCC)[C@@]1(CC=C)[H])CC=C
SPLASH splash10-0002-0129000000-14986e5b119a8b7ea759
Source of Spectrum ASC-346-1348-23
Wiley ID 1767489