| SpectraBase Spectrum ID |
CwmsrNBqPwy |
| Name |
(4S*,3R*,S*,4aS*,7aR*)-4-Hydroxy-1-(phenylthio)-3-(phenylsulfonyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine |
| Alternate Name(s) |
(3R,4S,4aS,7aR)-1-benzyl-3-(phenylsulfonyl)octahydro-1H-cyclopenta[b]pyridin-4-ol |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H25NO3S |
| InChI |
InChI=1S/C21H25NO3S/c23-21-18-12-7-13-19(18)22(14-16-8-3-1-4-9-16)15-20(21)26(24,25)17-10-5-2-6-11-17/h1-6,8-11,18-21,23H,7,12-15H2/t18-,19+,20+,21-/m0/s1 |
| InChIKey |
XLQIUACTMYAWIR-BQJUDKOJSA-N |
| Molecular Weight |
371.495 g/mol |
| SMILES |
O[C@@]1([C@](S(=O)(=O)c2ccccc2)(CN([C@@]2(CCC[C@]12[H])[H])Cc1ccccc1)[H])[H] |
| SPLASH |
splash10-0a4i-0937000000-8243c4828b32b5cb3f8e |
| Source of Spectrum |
QA-45-171-15 |
| Wiley ID |
862713 |
![(4S*,3R*,S*,4aS*,7aR*)-4-Hydroxy-1-(phenylthio)-3-(phenylsulfonyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine](/api/spectrum/CwmsrNBqPwy/structure.png?h=300&w=458 "(4S*,3R*,S*,4aS*,7aR*)-4-Hydroxy-1-(phenylthio)-3-(phenylsulfonyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine")
