| SpectraBase Spectrum ID |
CULDBut224c |
| Name |
4-Cyclohexene-1,2-dicarboxylic acid, 5-methyl-3-[1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl]-, 1-ethyl ester, (1.alpha.,2.alpha.,3.alpha.)-(.+-.)- |
| Alternate Name(s) |
(1RS,2SR,3SR)-1-ethyl hydrogen 5-methyl-3-(1'-tosylindol-3'-yl)cyclohex-4-ene-1,2-dicarboxylate
(1S,2S,6R)-6-(ethoxycarbonyl)-4-methyl-2-{1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl}-3-cyclohexene-1-carboxylic acid |
| CAS Registry Number |
131938-87-9 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H27NO6S |
| InChI |
InChI=1S/C26H27NO6S/c1-4-33-26(30)21-14-17(3)13-20(24(21)25(28)29)22-15-27(23-8-6-5-7-19(22)23)34(31,32)18-11-9-16(2)10-12-18/h5-13,15,20-21,24H,4,14H2,1-3H3,(H,28,29)/t20-,21-,24+/m1/s1 |
| InChIKey |
AOUAJXLAVGFYOZ-LGVFNWMJSA-N |
| Molecular Weight |
481.563 g/mol |
| SMILES |
OC([C@]1([C@@](c2c[n](S(c3ccc(cc3)C)(=O)=O)c3c2cccc3)(C=C(C[C@]1(C(=O)OCC)[H])C)[H])[H])=O |
| SPLASH |
splash10-001i-2941700000-3e164219f44a2990d40a |
| Source of Spectrum |
KC-1990-2492-15 |
| Wiley ID |
1395395 |
![4-Cyclohexene-1,2-dicarboxylic acid, 5-methyl-3-[1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl]-, 1-ethyl ester, (1.alpha.,2.alpha.,3.alpha.)-(.+-.)-](/api/spectrum/CULDBut224c/structure.png?h=300&w=458 "4-Cyclohexene-1,2-dicarboxylic acid, 5-methyl-3-[1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl]-, 1-ethyl ester, (1.alpha.,2.alpha.,3.alpha.)-(.+-.)-")
