| SpectraBase Compound ID | JSQUQX9T2oE |
|---|---|
| InChI | InChI=1S/C17H20O7S/c1-17(2)22-12-9-10-13(18)21-15(12)16(23-17)14(24-25(3,19)20)11-7-5-4-6-8-11/h4-10,12,14-16H,1-3H3/t12-,14-,15+,16+/m0/s1 |
| InChIKey | LKURJFCKDZVKDS-ARLBYUKCSA-N |
| Mol Weight | 368.4 g/mol |
| Molecular Formula | C17H20O7S |
| Exact Mass | 368.092974 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8uNIAkec9Em |
|---|---|
| Name | 4,6-O-isopropylidene-7-O-methanesulfonyl-7-C-phenyl-L-ido-hept-2-enono-.delta.-lactone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H20O7S |
| InChI | InChI=1S/C17H20O7S/c1-17(2)22-12-9-10-13(18)21-15(12)16(23-17)14(24-25(3,19)20)11-7-5-4-6-8-11/h4-10,12,14-16H,1-3H3/t12-,14-,15+,16+/m0/s1 |
| InChIKey | LKURJFCKDZVKDS-ARLBYUKCSA-N |
| Molecular Weight | 368.400 g/mol |
| SMILES | [C@@]1([C@]2([C@](C=CC(O2)=O)(OC(O1)(C)C)[H])[H])([C@@](OS(=O)(=O)C)(c1ccccc1)[H])[H] |
| SPLASH | splash10-0006-9000000000-b681c83aeb201e1bf8ef |
| Source of Spectrum | J-60-3130-28 |
| Synonyms | Methanesulfonic acid [(S)-[(4S,4aR,8aS)-2,2-dimethyl-6-oxo-4a,8a-dihydro-4H-pyrano[3,2-d][1,3]dioxin-4-yl]-phenylmethyl] ester [(S)-[(4S,4aR,8aS)-2,2-dimethyl-6-oxo-4a,8a-dihydro-4H-pyrano[3,2-d][1,3]dioxin-4-yl]-phenylmethyl] methanesulfonate [(S)-[(4S,4aR,8aS)-2,2-dimethyl-6-oxo-4a,8a-dihydro-4H-pyrano[3,2-d][1,3]dioxin-4-yl]-phenyl-methyl] methanesulfonate [(S)-[(4S,4aR,8aS)-2,2-dimethyl-6-oxidanylidene-4a,8a-dihydro-4H-pyrano[3,2-d][1,3]dioxin-4-yl]-phenyl-methyl] methanesulfonate |
| Wiley ID | 1293582 |