| SpectraBase Spectrum ID |
H0DCk2lvzml |
| Name |
(3.alpha.,3a.beta.,7a.beta.)-3-(Phenylthio)-3a-(3,4-dimethoxyphenyl)-1-methyloctahydroindole |
| Alternate Name(s) |
(3R,3aS,7aS)-3a-(3,4-dimethoxyphenyl)-1-methyl-3-(phenylsulfanyl)octahydro-1H-indole |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H29NO2S |
| InChI |
InChI=1S/C23H29NO2S/c1-24-16-22(27-18-9-5-4-6-10-18)23(14-8-7-11-21(23)24)17-12-13-19(25-2)20(15-17)26-3/h4-6,9-10,12-13,15,21-22H,7-8,11,14,16H2,1-3H3/t21-,22-,23-/m0/s1 |
| InChIKey |
KPHMHVYJJGBUAC-VABKMULXSA-N |
| Molecular Weight |
383.550 g/mol |
| SMILES |
[C@]12([C@](CN([C@]2(CCCC1)[H])C)(Sc1ccccc1)[H])c1cc(OC)c(cc1)OC |
| SPLASH |
splash10-004i-0190000000-ba13aa1ba0d2e109647e |
| Source of Spectrum |
C-114-1345-70 |
| Wiley ID |
1361146 |
