| SpectraBase Spectrum ID |
CktFMuEE1BA |
| Name |
1,3-Benzodioxole-5-acetic acid, 6-(6,7,8,9-tetrahydro-6,8-dimethyl-1,3-dioxolo[4,5-h]isoquinolin-7-yl)-, methyl ester, (6R-trans)- |
| Alternate Name(s) |
Methyl {6-[(6R,7R)-6,8-dimethyl-6,7,8,9-tetrahydro[1,3]dioxolo[4,5-h]isoquinolin-7-yl]-1,3-benzodioxol-5-yl}acetate |
| CAS Registry Number |
42511-88-6 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H23NO6 |
| InChI |
InChI=1S/C22H23NO6/c1-12-14-4-5-17-22(29-11-26-17)16(14)9-23(2)21(12)15-8-19-18(27-10-28-19)6-13(15)7-20(24)25-3/h4-6,8,12,21H,7,9-11H2,1-3H3/t12-,21-/m1/s1 |
| InChIKey |
QTJGELCKRFLMOF-XUSGNXJCSA-N |
| Molecular Weight |
397.427 g/mol |
| SMILES |
c12c([C@@](C)([C@](c3c(cc4c(c3)OCO4)CC(=O)OC)(N(C2)C)[H])[H])ccc2c1OCO2 |
| SPLASH |
splash10-02aj-0329000000-e058bc0ac8d9ec3881c1 |
| Source of Spectrum |
W5-0-0-0 |
| Wiley ID |
1367980 |
![1,3-Benzodioxole-5-acetic acid, 6-(6,7,8,9-tetrahydro-6,8-dimethyl-1,3-dioxolo[4,5-h]isoquinolin-7-yl)-, methyl ester, (6R-trans)-](/api/spectrum/CktFMuEE1BA/structure.png?h=300&w=458 "1,3-Benzodioxole-5-acetic acid, 6-(6,7,8,9-tetrahydro-6,8-dimethyl-1,3-dioxolo[4,5-h]isoquinolin-7-yl)-, methyl ester, (6R-trans)-")
