| SpectraBase Spectrum ID |
CASNNw0Z6MU |
| Name |
(3S,5S,6R,7aS)-3-(1,3-benzodioxol-5-yl)-1-[(4-methylphenyl)sulfonyl]-2,3,5,6,7,7a-hexahydro-1H-indole-5,6-diol |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H23NO6S |
| InChI |
InChI=1S/C22H23NO6S/c1-13-2-5-15(6-3-13)30(26,27)23-11-17(16-9-19(24)20(25)10-18(16)23)14-4-7-21-22(8-14)29-12-28-21/h2-9,17-20,24-25H,10-12H2,1H3/t17-,18-,19-,20+/m0/s1 |
| InChIKey |
RYALLZWUBKJCCJ-LWYYNNOASA-N |
| Molecular Weight |
429.487 g/mol |
| SMILES |
O[C@]1([C@](C=C2[C@](C1)(N(C[C@]2(c1cc2OCOc2cc1)[H])S(c1ccc(cc1)C)(=O)=O)[H])(O)[H])[H] |
| SPLASH |
splash10-000l-9466500000-4aec2aca53ae9e0d7545 |
| Source of Spectrum |
J-73-7584-21 |
| Synonyms |
(3S,5S,6R,7aS)-3-(1,3-benzodioxol-5-yl)-1-(p-tolylsulfonyl)-2,3,5,6,7,7a-hexahydroindole-5,6-diol
(3S,5S,6R,7aS)-3-(1,3-benzodioxol-5-yl)-1-(4-methylphenyl)sulfonyl-2,3,5,6,7,7a-hexahydroindole-5,6-diol |
| Wiley ID |
1668670 |
![(3S,5S,6R,7aS)-3-(1,3-benzodioxol-5-yl)-1-[(4-methylphenyl)sulfonyl]-2,3,5,6,7,7a-hexahydro-1H-indole-5,6-diol](/api/spectrum/CASNNw0Z6MU/structure.png?h=300&w=458 "(3S,5S,6R,7aS)-3-(1,3-benzodioxol-5-yl)-1-[(4-methylphenyl)sulfonyl]-2,3,5,6,7,7a-hexahydro-1H-indole-5,6-diol")
