| SpectraBase Spectrum ID |
Fjtduk2TNA0 |
| Name |
4-Isoquinolinecarboxylic acid, 2-[2-[1-[3-(1,1-dimethylethoxy)-3-oxo-1-propenyl]-1H-indol-3-yl]ethyl]-1,2,4a,7,8,8a-hexahydro-7-oxo-, 1,1-dimethylethyl ester, [2(E),4a.alpha.,8a.alpha.]-(.+-.)- |
| CAS Registry Number |
129265-14-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H38N2O5 |
| InChI |
InChI=1S/C31H38N2O5/c1-30(2,3)37-28(35)14-16-33-19-21(25-9-7-8-10-27(25)33)13-15-32-18-22-17-23(34)11-12-24(22)26(20-32)29(36)38-31(4,5)6/h7-12,14,16,19-20,22,24H,13,15,17-18H2,1-6H3/b16-14+/t22-,24-/m0/s1 |
| InChIKey |
PXOCPHKPSUDNIS-OIHOTYHGSA-N |
| Molecular Weight |
518.654 g/mol |
| SMILES |
C=1(C(OC(C)(C)C)=O)[C@@]2([C@](CC(C=C2)=O)([H])CN(C1)CCc1c[n](\C=C\C(OC(C)(C)C)=O)c2c1cccc2)[H] |
| SPLASH |
splash10-0r00-0091010000-9c692bc9501d95e1d981 |
| Source of Spectrum |
C-112-7688-21 |
| Synonyms |
2-(N-(2-ter-butoxycarbonylethenyl)indol-3-yl)-4-(tert-butoxycarbonyl)-7-keto-1,2,7,8,9-hexahydroisoquinoline
tert-Butyl (4aS,8aR)-2-(2-{1-[(1E)-3-tert-butoxy-3-oxo-1-propenyl]-1H-indol-3-yl}ethyl)-7-oxo-1,2,4a,7,8,8a-hexahydro-4-isoquinolinecarboxylate |
| Wiley ID |
1401749 |
![4-Isoquinolinecarboxylic acid, 2-[2-[1-[3-(1,1-dimethylethoxy)-3-oxo-1-propenyl]-1H-indol-3-yl]ethyl]-1,2,4a,7,8,8a-hexahydro-7-oxo-, 1,1-dimethylethyl ester, [2(E),4a.alpha.,8a.alpha.]-(.+-.)-](/api/spectrum/Fjtduk2TNA0/structure.png?h=300&w=458 "4-Isoquinolinecarboxylic acid, 2-[2-[1-[3-(1,1-dimethylethoxy)-3-oxo-1-propenyl]-1H-indol-3-yl]ethyl]-1,2,4a,7,8,8a-hexahydro-7-oxo-, 1,1-dimethylethyl ester, [2(E),4a.alpha.,8a.alpha.]-(.+-.)-")
