| SpectraBase Compound ID | IFceQ048Yle |
|---|---|
| InChI | InChI=1S/C18H22O7S/c1-10-15(23-11(2)19)16(24-12(3)20)17(25-13(4)21)18(22-10)26-14-8-6-5-7-9-14/h5-10,15-18H,1-4H3/t10-,15-,16+,17+,18+/m0/s1 |
| InChIKey | YPJGKQRQWRZEKO-UPXIOTMHSA-N |
| Mol Weight | 382.43 g/mol |
| Molecular Formula | C18H22O7S |
| Exact Mass | 382.108624 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1ztZ0LUV8D7 |
|---|---|
| Name | Phenyl 2,3,4-Tri-O-acetyl-1-thio-6-deoxy-.beta.,L-mannopyranoside |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H22O7S |
| InChI | InChI=1S/C18H22O7S/c1-10-15(23-11(2)19)16(24-12(3)20)17(25-13(4)21)18(22-10)26-14-8-6-5-7-9-14/h5-10,15-18H,1-4H3/t10-,15-,16+,17+,18+/m0/s1 |
| InChIKey | YPJGKQRQWRZEKO-UPXIOTMHSA-N |
| Molecular Weight | 382.427 g/mol |
| SMILES | [C@@]1([C@@]([C@@](OC(=O)C)([C@@](O[C@@]1(Sc1ccccc1)[H])(C)[H])[H])(OC(=O)C)[H])(OC(=O)C)[H] |
| SPLASH | splash10-0ir3-5930000000-fbd1552b48352d46e04f |
| Source of Spectrum | F-68-7174-8 |
| Synonyms | Acetic acid[(2S,3S,4R,5R,6R)-4,5-diacetoxy-2-methyl-6-(phenylthio)tetrahydropyran-3-yl]ester Acetic acid[(2S,3S,4R,5R,6R)-4,5-diacetyloxy-2-methyl-6-(phenylthio)-3-oxanyl]ester phenyl 2,3,4-tri-O-acetyl-6-deoxy-1-thio-.beta.-L-mannopyranoside [(2S,3S,4R,5R,6R)-4,5-diacetoxy-2-methyl-6-phenylsulfanyl-tetrahydropyran-3-yl]acetate [(2S,3S,4R,5R,6R)-4,5-diacetyloxy-2-methyl-6-phenylsulfanyl-oxan-3-yl]ethanoate [(2S,3S,4R,5R,6R)-4,5-diacetyloxy-2-methyl-6-phenylsulfanyloxan-3-yl]acetate Acetic acid [(2S,3S,4R,5R,6R)-4,5-diacetyloxy-2-methyl-6-(phenylthio)-3-oxanyl] ester [(2S,3S,4R,5R,6R)-4,5-diacetyloxy-2-methyl-6-phenylsulfanyloxan-3-yl] acetate [(2S,3S,4R,5R,6R)-4,5-diacetoxy-2-methyl-6-phenylsulfanyl-tetrahydropyran-3-yl] acetate [(2S,3S,4R,5R,6R)-4,5-diacetyloxy-2-methyl-6-phenylsulfanyl-oxan-3-yl] ethanoate |
| Wiley ID | 1573338 |