| SpectraBase Spectrum ID |
D6ftmboeMIt |
| Name |
4-Isoquinolinecarboxylic acid, 1,2,4a,7,8,8a-hexahydro-7-(2-methyl-1,3-dioxolan-2-yl)-2-[2-[1-(phenylsulfonyl)-1H-indol-3-yl]ethyl]-, methyl ester, (4a.alpha.,7.alpha.,8a.alpha.)-(.+-.)- |
| CAS Registry Number |
120262-54-6 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H34N2O6S |
| InChI |
InChI=1S/C31H34N2O6S/c1-31(38-16-17-39-31)24-12-13-26-23(18-24)19-32(21-28(26)30(34)37-2)15-14-22-20-33(29-11-7-6-10-27(22)29)40(35,36)25-8-4-3-5-9-25/h3-13,20-21,23-24,26H,14-19H2,1-2H3/t23-,24-,26-/m0/s1 |
| InChIKey |
MDLCKDRLJLJDGH-GNKBHMEESA-N |
| Molecular Weight |
562.681 g/mol |
| SMILES |
c1[n](S(=O)(=O)c2ccccc2)c2c(c1CCN1C=C(C(=O)OC)[C@@]3([C@](C1)(C[C@@](C1(OCCO1)C)(C=C3)[H])[H])[H])cccc2 |
| SPLASH |
splash10-000i-9020010000-feba78322640680b3349 |
| Source of Spectrum |
J-54-2902-45 |
| Synonyms |
Methyl (4aS,7R,8aR)-7-(2-methyl-1,3-dioxolan-2-yl)-2-{2-[1-(phenylsulfonyl)-1H-indol-3-yl]ethyl}-1,2,4a,7,8,8a-hexahydro-4-isoquinolinecarboxylate |
| Wiley ID |
1406931 |
![4-Isoquinolinecarboxylic acid, 1,2,4a,7,8,8a-hexahydro-7-(2-methyl-1,3-dioxolan-2-yl)-2-[2-[1-(phenylsulfonyl)-1H-indol-3-yl]ethyl]-, methyl ester, (4a.alpha.,7.alpha.,8a.alpha.)-(.+-.)-](/api/spectrum/D6ftmboeMIt/structure.png?h=300&w=458 "4-Isoquinolinecarboxylic acid, 1,2,4a,7,8,8a-hexahydro-7-(2-methyl-1,3-dioxolan-2-yl)-2-[2-[1-(phenylsulfonyl)-1H-indol-3-yl]ethyl]-, methyl ester, (4a.alpha.,7.alpha.,8a.alpha.)-(.+-.)-")
