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Ethyl 2-((1S,6S,7R,Z)-7-isopropyl-9-[(S)-N-methyl-S-phenyl-sulfonimidoyl)]-10-oxabicyclo-[4.3.1]deca-4,8-dien-1-yl)acetate
SpectraBase Compound ID 5Bo0pnEvoqM
InChI InChI=1S/C23H31NO4S/c1-5-27-22(25)16-23-14-10-9-13-20(28-23)19(17(2)3)15-21(23)29(26,24-4)18-11-7-6-8-12-18/h6-9,11-13,15,17,19-20H,5,10,14,16H2,1-4H3/t19-,20-,23-,29+/m0/s1
InChIKey FJJUCYLJRFDXLU-BZVYQRSTSA-N
Mol Weight 417.56 g/mol
Molecular Formula C23H31NO4S
Exact Mass 417.19738 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FdhlXwqLZGh
Name Ethyl 2-((1S,6S,7R,Z)-7-isopropyl-9-[(S)-N-methyl-S-phenyl-sulfonimidoyl)]-10-oxabicyclo-[4.3.1]deca-4,8-dien-1-yl)acetate
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Formula C23H31NO4S
InChI InChI=1S/C23H31NO4S/c1-5-27-22(25)16-23-14-10-9-13-20(28-23)19(17(2)3)15-21(23)29(26,24-4)18-11-7-6-8-12-18/h6-9,11-13,15,17,19-20H,5,10,14,16H2,1-4H3/t19-,20-,23-,29+/m0/s1
InChIKey FJJUCYLJRFDXLU-BZVYQRSTSA-N
Literature Reference DOI 10.1021/ol800854s
Molecular Weight 417.564 g/mol
SMILES C1([S@](c2ccccc2)(=NC)=O)=C[C@@](C(C)C)([C@@]2(C=CCC[C@]1(O2)CC(OCC)=O)[H])[H]
SPLASH splash10-00di-1935100000-b64939f72b7ec56f5aee
Source of Spectrum A1-10-2713/SMS29-21
Synonyms Ethyl 2-{(1S,6S,7R,Z)-7-Isopropyl-9-[(R)-N-methyl-S-phenylsulfonimidoyl]}-10-oxabicyclo[4.3.1]deca-4,8-dien-1-ylacetate Ethyl 2-((1S,6S,7R)-7-isopropyl-9-(N-methylphenylsulfonimidoyl)-10-oxabicyclo[4.3.1]deca-4,8-dien-1-yl)acetate Ethyl 2-((1S,6S,7R)-7-isopropyl-9-((R)-N-methylphenylsulfonimidoyl)-10-oxabicyclo[4.3.1]deca-4,8-dien-1-yl)acetate
Wiley ID 1759559