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1,2-Benzenedimethanol, 3,4-dimethoxy-.alpha.1-(5,6,7,8-tetrahydro-1,3-dioxolo[4,5-g]isoquinolin-5-yl)-, (R*,R*)-(.+-.)-
SpectraBase Compound ID CX2lxCKZN54
InChI InChI=1S/C20H23NO6/c1-24-15-4-3-12(14(9-22)20(15)25-2)19(23)18-13-8-17-16(26-10-27-17)7-11(13)5-6-21-18/h3-4,7-8,18-19,21-23H,5-6,9-10H2,1-2H3/t18-,19-/m1/s1
InChIKey IUCGUGXSNOLOAC-RTBURBONSA-N
Mol Weight 373.41 g/mol
Molecular Formula C20H23NO6
Exact Mass 373.152537 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EwAeHYXqwUu
Name 1,2-Benzenedimethanol, 3,4-dimethoxy-.alpha.1-(5,6,7,8-tetrahydro-1,3-dioxolo[4,5-g]isoquinolin-5-yl)-, (R*,R*)-(.+-.)-
CAS Registry Number 114621-95-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H23NO6
InChI InChI=1S/C20H23NO6/c1-24-15-4-3-12(14(9-22)20(15)25-2)19(23)18-13-8-17-16(26-10-27-17)7-11(13)5-6-21-18/h3-4,7-8,18-19,21-23H,5-6,9-10H2,1-2H3/t18-,19-/m1/s1
InChIKey IUCGUGXSNOLOAC-RTBURBONSA-N
Molecular Weight 373.405 g/mol
SMILES N1CCc2cc3OCOc3cc2[C@@]1([C@@](c1c(c(c(cc1)OC)OC)CO)(O)[H])[H]
SPLASH splash10-056s-7900000000-31f82eca988efe81dedf
Source of Spectrum H-70-1377-29
Synonyms 1,3-Dioxolo[4,5-g]isoquinoline, 1,2-benzenedimethanol deriv. (R)-[2-(hydroxymethyl)-3,4-dimethoxyphenyl][(5R)-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methanol L-2,2-hydroxymethyl-3,4-dimethoxy-.alpha.-(1,2,3,4-tetrahydro-6,7-methylenedioxy-1-isochinolinyl)benzyl-alcohol
Wiley ID 1356092