| SpectraBase Spectrum ID |
D9sJDJxXVVK |
| Name |
4-Isoquinolinecarboxylic acid, 1,2,4a,7,8,8a-hexahydro-2-methyl-7-(2-methyl-1,3-dioxolan-2-yl)-, methyl ester, (4a.alpha.,7.beta.,8a.alpha.)-(.+-.)- |
| CAS Registry Number |
120328-48-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H23NO4 |
| InChI |
InChI=1S/C16H23NO4/c1-16(20-6-7-21-16)12-4-5-13-11(8-12)9-17(2)10-14(13)15(18)19-3/h4-5,10-13H,6-9H2,1-3H3/t11-,12+,13-/m0/s1 |
| InChIKey |
DGQGWHURQDFNLT-XQQFMLRXSA-N |
| Molecular Weight |
293.363 g/mol |
| SMILES |
C=1([C@@]2([C@](C[C@](C3(OCCO3)C)(C=C2)[H])([H])CN(C1)C)[H])C(=O)OC |
| SPLASH |
splash10-000i-9010000000-2d834857aa0578977660 |
| Source of Spectrum |
J-54-2902-55 |
| Synonyms |
Methyl (4aS,7S,8aR)-2-methyl-7-(2-methyl-1,3-dioxolan-2-yl)-1,2,4a,7,8,8a-hexahydro-4-isoquinolinecarboxylate |
| Wiley ID |
1296345 |
![2-METHYL-4-CARBOMETHOXY-7-EXO-[1,1-(ETHYLENEDIOXY)-ETHYL]-HYDROISOQUINOLINE](/api/spectrum/D9sJDJxXVVK/structure.png?h=300&w=458 "2-METHYL-4-CARBOMETHOXY-7-EXO-[1,1-(ETHYLENEDIOXY)-ETHYL]-HYDROISOQUINOLINE")
