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(3R)-6,7-dimethoxy-3-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one
SpectraBase Compound ID 82hjTh8UeQR
InChI InChI=1S/C21H21NO6/c1-22-7-6-11-8-15-16(27-10-26-15)9-13(11)18(22)19-12-4-5-14(24-2)20(25-3)17(12)21(23)28-19/h4-5,8-9,18-19H,6-7,10H2,1-3H3/t18-,19+/m0/s1
InChIKey JZUTXVTYJDCMDU-RBUKOAKNSA-N
Mol Weight 383.4 g/mol
Molecular Formula C21H21NO6
Exact Mass 383.136887 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CFkDplec0O8
Name (3R)-6,7-dimethoxy-3-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one
CAS Registry Number 60594-55-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21NO6
InChI InChI=1S/C21H21NO6/c1-22-7-6-11-8-15-16(27-10-26-15)9-13(11)18(22)19-12-4-5-14(24-2)20(25-3)17(12)21(23)28-19/h4-5,8-9,18-19H,6-7,10H2,1-3H3/t18-,19+/m0/s1
InChIKey JZUTXVTYJDCMDU-RBUKOAKNSA-N
Molecular Weight 383.400 g/mol
SMILES c12C(O[C@](c2ccc(c1OC)OC)([C@@]1(c2c(cc3c(c2)OCO3)CCN1C)[H])[H])=O
SPLASH splash10-000x-9500000000-0ebbf019490f71d78f64
Source of Spectrum H-70-1376-0
Synonyms (3R)-6,7-dimethoxy-3-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-isobenzofuran-1-one (3R)-6,7-dimethoxy-3-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxol[4,5-g]isoquinolin-5-yl]phthalide
Wiley ID 1361083