| SpectraBase Spectrum ID |
1x9w84aqnU0 |
| Name |
3-Cyclohexene-1-carboxylic acid, 6-(hydroxymethyl)-4-methyl-2-[1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl]-, (1.alpha.,2.alpha.,6.alpha.)-(.+-.)- |
| CAS Registry Number |
131938-89-1 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H25NO5S |
| InChI |
InChI=1S/C24H25NO5S/c1-15-7-9-18(10-8-15)31(29,30)25-13-21(19-5-3-4-6-22(19)25)20-12-16(2)11-17(14-26)23(20)24(27)28/h3-10,12-13,17,20,23,26H,11,14H2,1-2H3,(H,27,28)/t17-,20+,23+/m0/s1 |
| InChIKey |
JOXHVFMLPIKNJM-XTQVGHSUSA-N |
| Molecular Weight |
439.526 g/mol |
| SMILES |
OC[C@@]1(CC(=C[C@@]([C@@]1(C(=O)O)[H])(c1c[n](S(c2ccc(cc2)C)(=O)=O)c2c1cccc2)[H])C)[H] |
| SPLASH |
splash10-01c0-0860900000-1a85a196e93513549bdf |
| Source of Spectrum |
KC-1990-2491-18 |
| Synonyms |
(1RS,2RS,6SR)-6-hydroxymethyl-4-methyl-2-(1'-tosylindol-3'-yl)cyclohex-3-enecarboxylic acid
(1S,2S,6R)-6-(hydroxymethyl)-4-methyl-2-{1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl}-3-cyclohexene-1-carboxylic acid |
| Wiley ID |
1384423 |
![3-Cyclohexene-1-carboxylic acid, 6-(hydroxymethyl)-4-methyl-2-[1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl]-, (1.alpha.,2.alpha.,6.alpha.)-(.+-.)-](/api/spectrum/1x9w84aqnU0/structure.png?h=300&w=458 "3-Cyclohexene-1-carboxylic acid, 6-(hydroxymethyl)-4-methyl-2-[1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl]-, (1.alpha.,2.alpha.,6.alpha.)-(.+-.)-")
