| SpectraBase Spectrum ID |
ByDXleAPxRj |
| Name |
4-Isoquinolinecarboxylic acid, 1,2,4a,7,8,8a-hexahydro-2-[2-(1H-indol-3-yl)ethyl]-7-(2-methyl-1,3-dioxolan-2-yl)-, methyl ester, (4a.alpha.,7.alpha.,8a.alpha.)-(.+-.)- |
| Alternate Name(s) |
Methyl (4aS,7R,8aR)-2-[2-(1H-indol-3-yl)ethyl]-7-(2-methyl-1,3-dioxolan-2-yl)-1,2,4a,7,8,8a-hexahydro-4-isoquinolinecarboxylate |
| CAS Registry Number |
120230-30-0 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H30N2O4 |
| InChI |
InChI=1S/C25H30N2O4/c1-25(30-11-12-31-25)19-7-8-20-18(13-19)15-27(16-22(20)24(28)29-2)10-9-17-14-26-23-6-4-3-5-21(17)23/h3-8,14,16,18-20,26H,9-13,15H2,1-2H3/t18-,19-,20-/m0/s1 |
| InChIKey |
IKVDSBZDXWTTNA-UFYCRDLUSA-N |
| Molecular Weight |
422.525 g/mol |
| SMILES |
[nH]1c2c(c(c1)CCN1C=C([C@@]3([C@](C[C@@](C4(OCCO4)C)(C=C3)[H])([H])C1)[H])C(=O)OC)cccc2 |
| SPLASH |
splash10-03dr-4490000000-67f31294ec0f80f6a2b2 |
| Source of Spectrum |
J-54-2902-46 |
| Wiley ID |
1378697 |
![4-Isoquinolinecarboxylic acid, 1,2,4a,7,8,8a-hexahydro-2-[2-(1H-indol-3-yl)ethyl]-7-(2-methyl-1,3-dioxolan-2-yl)-, methyl ester, (4a.alpha.,7.alpha.,8a.alpha.)-(.+-.)-](/api/spectrum/ByDXleAPxRj/structure.png?h=300&w=458 "4-Isoquinolinecarboxylic acid, 1,2,4a,7,8,8a-hexahydro-2-[2-(1H-indol-3-yl)ethyl]-7-(2-methyl-1,3-dioxolan-2-yl)-, methyl ester, (4a.alpha.,7.alpha.,8a.alpha.)-(.+-.)-")
