![(4A-R,6S,7S,8R,8A-S)-7,8-DI-ACETYLOXY-6-METHYLHEXAHYDRO-4A-H-[1,4]-DITHIINO-[2,3-B]-PYRAN](/api/spectrum/1Oa3YB6OHIc/structure.png?h=300&w=458 "(4A-R,6S,7S,8R,8A-S)-7,8-DI-ACETYLOXY-6-METHYLHEXAHYDRO-4A-H-[1,4]-DITHIINO-[2,3-B]-PYRAN")
| SpectraBase Compound ID | KoMZBHjOAtz |
|---|---|
| InChI | InChI=1S/C12H18O5S2/c1-6-9(16-7(2)13)10(17-8(3)14)11-12(15-6)19-5-4-18-11/h6,9-12H,4-5H2,1-3H3/t6-,9-,10+,11-,12+/m0/s1 |
| InChIKey | OCIJVPSYXWTQKR-JYKCKQTKSA-N |
| Mol Weight | 306.39 g/mol |
| Molecular Formula | C12H18O5S2 |
| Exact Mass | 306.059566 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1Oa3YB6OHIc |
|---|---|
| Name | (4aR,6S,8R,8aS)-7,8-Di-O-acetyloxy-6-methylhexahydro-4aH-[1,4]dithiino[2,3b[pyran |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H18O5S2 |
| InChI | InChI=1S/C12H18O5S2/c1-6-9(16-7(2)13)10(17-8(3)14)11-12(15-6)19-5-4-18-11/h6,9-12H,4-5H2,1-3H3/t6-,9-,10+,11-,12+/m0/s1 |
| InChIKey | OCIJVPSYXWTQKR-JYKCKQTKSA-N |
| Molecular Weight | 306.391 g/mol |
| SMILES | [C@]1([C@]2([C@@](SCCS2)(O[C@]([C@@]1(OC(=O)C)[H])(C)[H])[H])[H])(OC(=O)C)[H] |
| SPLASH | splash10-0abi-0900000000-d8a051d583fd6047b1ca |
| Source of Spectrum | F-68-7174-11 |
| Synonyms | Acetic acid [(4aR,6S,7S,8R,8aS)-8-acetyloxy-6-methyl-3,4a,6,7,8,8a-hexahydro-2H-[1,4]dithiino[2,3-b]pyran-7-yl] ester [(4aR,6S,7S,8R,8aS)-8-acetyloxy-6-methyl-3,4a,6,7,8,8a-hexahydro-2H-[1,4]dithiino[2,3-b]pyran-7-yl] acetate [(4aR,6S,7S,8R,8aS)-8-acetoxy-6-methyl-3,4a,6,7,8,8a-hexahydro-2H-[1,4]dithiino[2,3-b]pyran-7-yl] acetate [(4aR,6S,7S,8R,8aS)-8-acetyloxy-6-methyl-3,4a,6,7,8,8a-hexahydro-2H-[1,4]dithiino[2,3-b]pyran-7-yl] ethanoate |
| Wiley ID | 1573335 |