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(+)-(3S,4S)-N-Benzyl-3-(3,4-dimethoxyphenyl)-6,7-methylenedioxy-4-(2-propenyl)-1,2,3,4-tetrahydroisoquinoline
SpectraBase Compound ID 1PyGyDaxF2X
InChI InChI=1S/C28H29NO4/c1-4-8-22-23-15-27-26(32-18-33-27)14-21(23)17-29(16-19-9-6-5-7-10-19)28(22)20-11-12-24(30-2)25(13-20)31-3/h4-7,9-15,22,28H,1,8,16-18H2,2-3H3/t22-,28+/m0/s1
InChIKey LTIDNNOYWVWKDG-RBISFHTESA-N
Mol Weight 443.54 g/mol
Molecular Formula C28H29NO4
Exact Mass 443.209658 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JoCeJS617Gt
Name (+)-(3S,4S)-N-Benzyl-3-(3,4-dimethoxyphenyl)-6,7-methylenedioxy-4-(2-propenyl)-1,2,3,4-tetrahydroisoquinoline
Alternate Name(s) (7S,8S)-8-allyl-6-benzyl-7-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H29NO4
InChI InChI=1S/C28H29NO4/c1-4-8-22-23-15-27-26(32-18-33-27)14-21(23)17-29(16-19-9-6-5-7-10-19)28(22)20-11-12-24(30-2)25(13-20)31-3/h4-7,9-15,22,28H,1,8,16-18H2,2-3H3/t22-,28+/m0/s1
InChIKey LTIDNNOYWVWKDG-RBISFHTESA-N
Molecular Weight 443.543 g/mol
SMILES [C@]1(N(Cc2c([C@@]1(CC=C)[H])cc1c(c2)OCO1)Cc1ccccc1)(c1cc(OC)c(cc1)OC)[H]
SPLASH splash10-0f8c-9461000000-f04cae06d22a464d0f61
Source of Spectrum QC-10-1956-7
Wiley ID 871414