![(2S,3R,6S,8S)-8-Chloro-2,3-diisopropyl-5-[(S)-N-methyl-S-phenyl-sulfonimidoyl)]-(phenylsulfonyl)-1-oxaspiro[5.5]undec-4-ene](/api/spectrum/1S261yIYXOv/structure.png?h=300&w=458 "(2S,3R,6S,8S)-8-Chloro-2,3-diisopropyl-5-[(S)-N-methyl-S-phenyl-sulfonimidoyl)]-(phenylsulfonyl)-1-oxaspiro[5.5]undec-4-ene")
| SpectraBase Compound ID | IO4ngGX3FLd |
|---|---|
| InChI | InChI=1S/C23H34ClNO2S/c1-16(2)20-14-21(28(26,25-5)19-11-7-6-8-12-19)23(27-22(20)17(3)4)13-9-10-18(24)15-23/h6-8,11-12,14,16-18,20,22H,9-10,13,15H2,1-5H3/t18-,20-,22-,23-,28+/m0/s1 |
| InChIKey | MXTUSUNSDOZHDW-CPALSAIRSA-N |
| Mol Weight | 424.0 g/mol |
| Molecular Formula | C23H34ClNO2S |
| Exact Mass | 423.199878 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1S261yIYXOv |
|---|---|
| Name | (2S,3R,6S,8S)-8-Chloro-2,3-diisopropyl-5-[(S)-N-methyl-S-phenyl-sulfonimidoyl)]-(phenylsulfonyl)-1-oxaspiro[5.5]undec-4-ene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H34ClNO2S |
| InChI | InChI=1S/C23H34ClNO2S/c1-16(2)20-14-21(28(26,25-5)19-11-7-6-8-12-19)23(27-22(20)17(3)4)13-9-10-18(24)15-23/h6-8,11-12,14,16-18,20,22H,9-10,13,15H2,1-5H3/t18-,20-,22-,23-,28+/m0/s1 |
| InChIKey | MXTUSUNSDOZHDW-CPALSAIRSA-N |
| Literature Reference DOI | 10.1021/ol800854s |
| Molecular Weight | 424.043 g/mol |
| SMILES | C1([S@](=O)(c2ccccc2)=NC)=C[C@@](C(C)C)([C@](C(C)C)(O[C@@]11C[C@@](Cl)(CCC1)[H])[H])[H] |
| SPLASH | splash10-000i-0209100000-066afc5d76fc89e75415 |
| Source of Spectrum | A1-10-2713/SMS30-22 |
| Wiley ID | 1759560 |