| SpectraBase Compound ID | ErPVZFnk4Tz |
|---|---|
| InChI | InChI=1S/C25H27NO7S/c1-17-8-10-21(11-9-17)34(30,31)26-13-12-19-14-20(27)15-22(32-2)25(19,23(26)28)24(29)33-16-18-6-4-3-5-7-18/h3-11,19,22H,12-16H2,1-2H3/t19-,22+,25+/m1/s1 |
| InChIKey | DKJWLWACRCEIPB-WPWBMXPQSA-N |
| Mol Weight | 485.55 g/mol |
| Molecular Formula | C25H27NO7S |
| Exact Mass | 485.150823 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 90trbQQbyw5 |
|---|---|
| Name | exo-(4aRS,8RS,8aSR)-8a-(Benzyloxycarbonyl)-8-methoxy-1,6-dioxo-2-(p-toluenesulfonyl)perhydroisoquinoline |
| Alternate Name(s) | (4aR,8S,8aS)-8-methoxy-2-(4-methylphenyl)sulfonyl-1,6-dioxo-3,4,4a,5,7,8-hexahydroisoquinoline-8a-carboxylic acid (phenylmethyl) ester benzyl (4aR,8S,8aS)-8-methoxy-2-(4-methylphenyl)sulfonyl-1,6-dioxo-3,4,4a,5,7,8-hexahydroisoquinoline-8a-carboxylate benzyl (4aR,8S,8aS)-8-methoxy-1,6-dioxo-2-(p-tolylsulfonyl)-3,4,4a,5,7,8-hexahydroisoquinoline-8a-carboxylate (phenylmethyl) (4aR,8S,8aS)-8-methoxy-2-(4-methylphenyl)sulfonyl-1,6-bis(oxidanylidene)-3,4,4a,5,7,8-hexahydroisoquinoline-8a-carboxylate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H27NO7S |
| InChI | InChI=1S/C25H27NO7S/c1-17-8-10-21(11-9-17)34(30,31)26-13-12-19-14-20(27)15-22(32-2)25(19,23(26)28)24(29)33-16-18-6-4-3-5-7-18/h3-11,19,22H,12-16H2,1-2H3/t19-,22+,25+/m1/s1 |
| InChIKey | DKJWLWACRCEIPB-WPWBMXPQSA-N |
| Molecular Weight | 485.551 g/mol |
| SMILES | c1(S(N2C([C@@]3([C@](CC(=O)C[C@@]3(OC)[H])([H])CC2)C(OCc2ccccc2)=O)=O)(=O)=O)ccc(cc1)C |
| SPLASH | splash10-0006-9000000000-0d801cd39c65fe27bf2a |
| Source of Spectrum | F-56-4035-18 |
| Wiley ID | 857280 |