| SpectraBase Spectrum ID |
6xmsogD1x3C |
| Name |
4-Isoquinolineacetaldehyde, 3-(1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-oxo-, trans- |
| CAS Registry Number |
113975-98-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H21NO6 |
| InChI |
InChI=1S/C21H21NO6/c1-22-20(12-4-5-16-19(8-12)28-11-27-16)13(6-7-23)14-9-17(25-2)18(26-3)10-15(14)21(22)24/h4-5,7-10,13,20H,6,11H2,1-3H3/t13-,20+/m0/s1 |
| InChIKey |
BUXNJSXSSQJIHD-RNODOKPDSA-N |
| Molecular Weight |
383.400 g/mol |
| SMILES |
C1(N([C@@]([C@](c2cc(c(cc12)OC)OC)(CC=O)[H])(c1cc2OCOc2cc1)[H])C)=O |
| SPLASH |
splash10-0006-0904000000-bf455e05816b82426f7a |
| Source of Spectrum |
J-53-2380-8 |
| Synonyms |
[(3S,4S)-3-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinyl]acetaldehyde |
| Wiley ID |
1361087 |
