| SpectraBase Spectrum ID |
mkHm9daWuU |
| Name |
1H-Indole, 3-(1,3,3a,4,7,7a-hexahydro-6-methyl-3-oxo-4-isobenzofuranyl)-1-[(4-methylphenyl)sulfonyl]-, (3a.alpha.,4.beta.,7a.alpha.)-(.+-.)- |
| CAS Registry Number |
131938-90-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H23NO4S |
| InChI |
InChI=1S/C24H23NO4S/c1-15-7-9-18(10-8-15)30(27,28)25-13-21(19-5-3-4-6-22(19)25)20-12-16(2)11-17-14-29-24(26)23(17)20/h3-10,12-13,17,20,23H,11,14H2,1-2H3/t17-,20+,23+/m0/s1 |
| InChIKey |
YQCVPUUNZDACIG-XTQVGHSUSA-N |
| Molecular Weight |
421.511 g/mol |
| SMILES |
c1[n](S(c2ccc(cc2)C)(=O)=O)c2c(c1[C@@]1([C@@]3(C(OC[C@]3([H])CC(=C1)C)=O)[H])[H])cccc2 |
| SPLASH |
splash10-01c0-2680900000-40a070b6e77cf364117c |
| Source of Spectrum |
KC-1990-2491-19 |
| Synonyms |
(3aR,7S,7aS)-5-methyl-7-{1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl}-3a,4,7,7a-tetrahydro-2-benzofuran-1(3H)-one
(3aRS,7SR,7aSR)-5-methyl-7-(1'-tosylindol-3'-yl)-3a,4,7,7a-tetrahydrophthalide |
| Wiley ID |
1378321 |
![1H-Indole, 3-(1,3,3a,4,7,7a-hexahydro-6-methyl-3-oxo-4-isobenzofuranyl)-1-[(4-methylphenyl)sulfonyl]-, (3a.alpha.,4.beta.,7a.alpha.)-(.+-.)-](/api/spectrum/mkHm9daWuU/structure.png?h=300&w=458 "1H-Indole, 3-(1,3,3a,4,7,7a-hexahydro-6-methyl-3-oxo-4-isobenzofuranyl)-1-[(4-methylphenyl)sulfonyl]-, (3a.alpha.,4.beta.,7a.alpha.)-(.+-.)-")
