![4-[(t-Butyldimethylsilyl)oxy]-2,2-dimethyl-7-[p-(methylphenyl)sulfonamido]-5-(benzoyloxy)-6-(1'-ethynyl)-perhydro-1,3-benzodioxole](/api/spectrum/Cgu8j5q0t2a/structure.png?h=300&w=458 "4-[(t-Butyldimethylsilyl)oxy]-2,2-dimethyl-7-[p-(methylphenyl)sulfonamido]-5-(benzoyloxy)-6-(1'-ethynyl)-perhydro-1,3-benzodioxole")
| SpectraBase Compound ID | L1RWniozjff |
|---|---|
| InChI | InChI=1S/C31H41NO7SSi/c1-10-23-24(32-40(34,35)22-18-16-20(2)17-19-22)26-27(38-31(6,7)37-26)28(39-41(8,9)30(3,4)5)25(23)36-29(33)21-14-12-11-13-15-21/h1,11-19,23-28,32H,2-9H3/t23-,24?,25-,26?,27?,28+/m1/s1 |
| InChIKey | GWLRSNSXGAHWRR-LWJKVCAYSA-N |
| Mol Weight | 599.8 g/mol |
| Molecular Formula | C31H41NO7SSi |
| Exact Mass | 599.2373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Cgu8j5q0t2a |
|---|---|
| Name | 4-[(T-Butyldimethylsilyl)oxy]-2,2-dimethyl-7-[p-(methylphenyl)sulfonamido]-5-(benzoyloxy)-6-(1'-ethynyl)-perhydro-1,3-benzodioxole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 599.237300366 u |
| Formula | C31H41NO7SSi |
| InChI | InChI=1S/C31H41NO7SSi/c1-10-23-24(32-40(34,35)22-18-16-20(2)17-19-22)26-27(38-31(6,7)37-26)28(39-41(8,9)30(3,4)5)25(23)36-29(33)21-14-12-11-13-15-21/h1,11-19,23-28,32H,2-9H3/t23-,24?,25-,26?,27?,28+/m1/s1 |
| InChIKey | GWLRSNSXGAHWRR-LWJKVCAYSA-N |
| Molecular Weight | 599.814 g/mol |
| SMILES | [C@@]1(C2C(OC(O2)(C)C)C([C@]([C@]1(OC(=O)C=1C=CC=CC1)[H])(C#C)[H])NS(C=1C=CC(=CC1)C)(=O)=O)(O[Si](C(C)(C)C)(C)C)[H] |