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1,3-Dioxolo[4,5-g]isoquinoline-5-methanol, 6-(2,2-dimethyl-1-oxopropyl)-5,6,7,8-tetrahydro-.alpha.-[2-(hydroxymethyl)-3,4-dimethoxyphenyl]-, (R*,S*)-(.+-.)-
SpectraBase Compound ID Hwi6PlRauor
InChI InChI=1S/C25H31NO7/c1-25(2,3)24(29)26-9-8-14-10-19-20(33-13-32-19)11-16(14)21(26)22(28)15-6-7-18(30-4)23(31-5)17(15)12-27/h6-7,10-11,21-22,27-28H,8-9,12-13H2,1-5H3
InChIKey BAALLWWRVUXNNJ-UHFFFAOYSA-N
Mol Weight 457.52 g/mol
Molecular Formula C25H31NO7
Exact Mass 457.210052 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A7HpHlBZaTt
Name 1,3-Dioxolo[4,5-g]isoquinoline-5-methanol, 6-(2,2-dimethyl-1-oxopropyl)-5,6,7,8-tetrahydro-.alpha.-[2-(hydroxymethyl)-3,4-dimethoxyphenyl]-, (R*,S*)-(.+-.)-
Alternate Name(s) 1-[5-[(3,4-dimethoxy-2-methylol-phenyl)-hydroxy-methyl]-7,8-dihydro-5H-[1,3]dioxol[4,5-g]isoquinolin-6-yl]-2,2-dimethyl-propan-1-one 1-[5-[hydroxy-[2-(hydroxymethyl)-3,4-dimethoxy-phenyl]methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl]-2,2-dimethyl-propan-1-one 1-[5-[hydroxy-[2-(hydroxymethyl)-3,4-dimethoxyphenyl]methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl]-2,2-dimethyl-1-propanone 1-[5-[[2-(hydroxymethyl)-3,4-dimethoxy-phenyl]-oxidanyl-methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl]-2,2-dimethyl-propan-1-one
CAS Registry Number 114621-94-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H31NO7
InChI InChI=1S/C25H31NO7/c1-25(2,3)24(29)26-9-8-14-10-19-20(33-13-32-19)11-16(14)21(26)22(28)15-6-7-18(30-4)23(31-5)17(15)12-27/h6-7,10-11,21-22,27-28H,8-9,12-13H2,1-5H3
InChIKey BAALLWWRVUXNNJ-UHFFFAOYSA-N
Molecular Weight 457.523 g/mol
SMILES OC(c1c(CO)c(c(cc1)OC)OC)C1N(CCc2cc3c(cc12)OCO3)C(=O)C(C)(C)C
SPLASH splash10-08fr-9550000000-84a983d441acfbf4222d
Wiley ID 1486741