| SpectraBase Spectrum ID |
6I7MZ88S0wS |
| Name |
(3.alpha.,4.beta.,4a.alpha.,8a,beta.)-(+-)-3-[(2,2-Dimethylpropyl)-4-[(phenylthio)methyl]-octahydro-2H-1-benzopyran-2-one |
| Alternate Name(s) |
(3R,4S,4aR,8aS)-3-neopentyl-4-[(phenylsulfanyl)methyl]octahydro-2H-chromen-2-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H30O2S |
| InChI |
InChI=1S/C21H30O2S/c1-21(2,3)13-17-18(14-24-15-9-5-4-6-10-15)16-11-7-8-12-19(16)23-20(17)22/h4-6,9-10,16-19H,7-8,11-14H2,1-3H3/t16-,17-,18+,19+/m1/s1 |
| InChIKey |
UKOZRPLQDIYLFT-YRXWBPOGSA-N |
| Molecular Weight |
346.529 g/mol |
| SMILES |
C1(O[C@]2(CCCC[C@@]2([C@@]([C@]1(CC(C)(C)C)[H])(CSc1ccccc1)[H])[H])[H])=O |
| SPLASH |
splash10-06dl-9482000000-5df420f44e00e9ddc7fe |
| Source of Spectrum |
C-118-9839-17 |
| Wiley ID |
759986 |
![(3.alpha.,4.beta.,4a.alpha.,8a,beta.)-(+-)-3-[(2,2-Dimethylpropyl)-4-[(phenylthio)methyl]-octahydro-2H-1-benzopyran-2-one](/api/spectrum/6I7MZ88S0wS/structure.png?h=300&w=458 "(3.alpha.,4.beta.,4a.alpha.,8a,beta.)-(+-)-3-[(2,2-Dimethylpropyl)-4-[(phenylthio)methyl]-octahydro-2H-1-benzopyran-2-one")
