| SpectraBase Spectrum ID |
4rbQZ7wDRsn |
| Name |
4-Cyclohexene-1,2-dicarboxylic acid, 5-methyl-3-[1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl]-, 1-methyl ester, (1.alpha.,2.alpha.,3.alpha.)-(.+-.)- |
| CAS Registry Number |
131938-86-8 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H25NO6S |
| InChI |
InChI=1S/C25H25NO6S/c1-15-8-10-17(11-9-15)33(30,31)26-14-21(18-6-4-5-7-22(18)26)19-12-16(2)13-20(25(29)32-3)23(19)24(27)28/h4-12,14,19-20,23H,13H2,1-3H3,(H,27,28)/t19-,20-,23+/m1/s1 |
| InChIKey |
CDYUTZNXSKODRU-VIZSFHNOSA-N |
| Molecular Weight |
467.536 g/mol |
| SMILES |
OC([C@]1([C@@](c2c[n](S(c3ccc(cc3)C)(=O)=O)c3c2cccc3)(C=C(C[C@]1(C(=O)OC)[H])C)[H])[H])=O |
| SPLASH |
splash10-00lr-0852900000-639a22b4750b72d8fdc7 |
| Source of Spectrum |
KC-1990-2491-14 |
| Synonyms |
(1RS,2SR,3SR)-1-methyl hydrogen 5-methyl-3-(1'-tosyl-indol-3'-yl)cyclohex-4-ene-1,2-dicarboxylate
(1S,2S,6R)-6-(methoxycarbonyl)-4-methyl-2-{1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl}-3-cyclohexene-1-carboxylic acid |
| Wiley ID |
1392170 |
![4-Cyclohexene-1,2-dicarboxylic acid, 5-methyl-3-[1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl]-, 1-methyl ester, (1.alpha.,2.alpha.,3.alpha.)-(.+-.)-](/api/spectrum/4rbQZ7wDRsn/structure.png?h=300&w=458 "4-Cyclohexene-1,2-dicarboxylic acid, 5-methyl-3-[1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl]-, 1-methyl ester, (1.alpha.,2.alpha.,3.alpha.)-(.+-.)-")
