| SpectraBase Spectrum ID |
7j76IaNCR2v |
| Name |
(3S,3aS,5R,7aR)-3-(2,2-dimethylpropyl)-7a-methyl-5-(phenylsulfanylmethyl)-3,3a,4,5,6,7-hexahydro-1-benzofuran-2-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H30O2S |
| InChI |
InChI=1S/C21H30O2S/c1-20(2,3)13-17-18-12-15(10-11-21(18,4)23-19(17)22)14-24-16-8-6-5-7-9-16/h5-9,15,17-18H,10-14H2,1-4H3/t15-,17+,18+,21-/m1/s1 |
| InChIKey |
VOKGWFLQXPMJRL-CNTRQJEFSA-N |
| Molecular Weight |
346.529 g/mol |
| SMILES |
C1(O[C@@]2(CC[C@](C[C@]2([C@@]1(CC(C)(C)C)[H])[H])(CSc1ccccc1)[H])C)=O |
| SPLASH |
splash10-06r2-5519000000-415399442e723e098670 |
| Source of Spectrum |
C-118-9840-26 |
| Synonyms |
(3S,3aS,5R,7aR)-3-(2,2-dimethylpropyl)-7a-methyl-5-(phenylsulfanylmethyl)-3,3a,4,5,6,7-hexahydrobenzofuran-2-one
(3S,3aS,5R,7aR)-3-(2,2-dimethylpropyl)-7a-methyl-5-[(phenylthio)methyl]-3,3a,4,5,6,7-hexahydrobenzofuran-2-one
(3S,3aS,5R,7aR)-7a-methyl-3-neopentyl-5-[(phenylthio)methyl]-3,3a,4,5,6,7-hexahydrobenzofuran-2-one |
| Wiley ID |
759980 |
