| SpectraBase Spectrum ID |
1HtNcZDNOSu |
| Name |
(+,-)-trans-3-(1,3-benzodioxol-5-yl)-3,4-dihydro-4-(2-hydroxyethyl)-6,7-dimethoxy-2-methyl-1(2H)-isoquinolone |
| CAS Registry Number |
113975-95-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H23NO6 |
| InChI |
InChI=1S/C21H23NO6/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/h4-5,8-10,13,20,23H,6-7,11H2,1-3H3/t13-,20+/m0/s1 |
| InChIKey |
XFWXXRAEUCYOIT-RNODOKPDSA-N |
| Molecular Weight |
385.416 g/mol |
| SMILES |
OCC[C@]1(c2cc(OC)c(cc2C(N([C@@]1(c1cc2OCOc2cc1)[H])C)=O)OC)[H] |
| SPLASH |
splash10-0006-0912000000-e26e449bf88f9a2c0055 |
| Source of Spectrum |
J-53-2379-5 |
| Synonyms |
(3S,4S)-3-(1,3-benzodioxol-5-yl)-4-(2-hydroxyethyl)-6,7-dimethoxy-2-methyl-3,4-dihydro-1(2H)-isoquinolinone |
| Wiley ID |
1362221 |
