| SpectraBase Compound ID | HoSYAiVhDtj |
|---|---|
| InChI | InChI=1S/C20H23NO7S/c1-13-8-10-16(11-9-13)29(25,26)19-18(23)17(22)14(2)21(28-19)20(24)27-12-15-6-4-3-5-7-15/h3-11,14,17-19,22-23H,12H2,1-2H3/t14-,17-,18-,19+/m0/s1 |
| InChIKey | QTUCHALSBQUNDB-UDTPNQRGSA-N |
| Mol Weight | 421.46 g/mol |
| Molecular Formula | C20H23NO7S |
| Exact Mass | 421.119523 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BVXhmAtNXkr |
|---|---|
| Name | N-(Benzyloxycarbonyl)-3,4,5,6-tetrahydro-4,5-dihydroxy-3-methyl-6-(p-tolylsulfonyl)-1,2-oxazine |
| Alternate Name(s) | (3S,4S,5S,6R)-N-(Benzyloxycarbonyl)-3,4,5,6-tetrahydro-4,5-dihydroxy-3-methyl-6-(p-tolylsulfonyl)-1,2-oxazine benzyl 4,5-dihydroxy-3-methyl-6-[(4-methylphenyl)sulfonyl]tetrahydro-2H-1,2-oxazine-2-carboxylate (3S,4S,5S,6R)-4,5-dihydroxy-3-methyl-6-(4-methylphenyl)sulfonyl-2-oxazinanecarboxylic acid (phenylmethyl) ester benzyl (3S,4S,5S,6R)-4,5-dihydroxy-3-methyl-6-(4-methylphenyl)sulfonyloxazinane-2-carboxylate benzyl (3S,4S,5S,6R)-4,5-dihydroxy-3-methyl-6-(p-tolylsulfonyl)oxazinane-2-carboxylate (phenylmethyl) (3S,4S,5S,6R)-3-methyl-6-(4-methylphenyl)sulfonyl-4,5-bis(oxidanyl)-1,2-oxazinane-2-carboxylate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H23NO7S |
| InChI | InChI=1S/C20H23NO7S/c1-13-8-10-16(11-9-13)29(25,26)19-18(23)17(22)14(2)21(28-19)20(24)27-12-15-6-4-3-5-7-15/h3-11,14,17-19,22-23H,12H2,1-2H3/t14-,17-,18-,19+/m0/s1 |
| InChIKey | QTUCHALSBQUNDB-UDTPNQRGSA-N |
| Molecular Weight | 421.464 g/mol |
| SMILES | O[C@@]1([C@](ON([C@]([C@@]1(O)[H])(C)[H])C(OCc1ccccc1)=O)(S(c1ccc(cc1)C)(=O)=O)[H])[H] |
| SPLASH | splash10-00fr-0137900000-d27ea869ae3431374b68 |
| Source of Spectrum | OL-2-3167-4 |
| Wiley ID | 1547521 |