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(3R,3aS,7aS)-5',5'-Dimethyl-7a-(((S)-N-methyl-S-phenylsulfonimidoyl)methyl)hexahydro-2H-spiro[benzofuran-5,2'-[1,3]dioxan]-3-ol

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(3R,3aS,7aS)-5',5'-Dimethyl-7a-(((S)-N-methyl-S-phenylsulfonimidoyl)methyl)hexahydro-2H-spiro[benzofuran-5,2'-[1,3]dioxan]-3-ol
SpectraBase Compound ID LsEdKzeZdch
InChI InChI=1S/C21H31NO5S/c1-19(2)13-26-21(27-14-19)10-9-20(17(11-21)18(23)12-25-20)15-28(24,22-3)16-7-5-4-6-8-16/h4-8,17-18,23H,9-15H2,1-3H3/t17-,18-,20+,28+/m0/s1
InChIKey DFHVUYYCRXFNNH-MRSNEKLCSA-N
Mol Weight 409.54 g/mol
Molecular Formula C21H31NO5S
Exact Mass 409.192294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 622Sj9rveWc
Name (3R,3aS,7aS)-5',5'-Dimethyl-7a-(((S)-N-methyl-S-phenylsulfonimidoyl)methyl)hexahydro-2H-spiro[benzofuran-5,2'-[1,3]dioxan]-3-ol
Alternate Name(s) (3R,3aS,7aS)-5',5'-dimethyl-7a-(((R)-N-methylphenylsulfonimidoyl)methyl)hexahydro-2H-spiro[benzofuran-5,2'-[1,3]dioxan]-3-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31NO5S
InChI InChI=1S/C21H31NO5S/c1-19(2)13-26-21(27-14-19)10-9-20(17(11-21)18(23)12-25-20)15-28(24,22-3)16-7-5-4-6-8-16/h4-8,17-18,23H,9-15H2,1-3H3/t17-,18-,20+,28+/m0/s1
InChIKey DFHVUYYCRXFNNH-MRSNEKLCSA-N
Literature Reference DOI 10.1021/ol0627606
Molecular Weight 409.541 g/mol
SMILES O[C@]1(CO[C@@]2(C[S@@](c3ccccc3)(=NC)=O)CCC3(OCC(CO3)(C)C)C[C@@]12[H])[H]
SPLASH splash10-0a6r-1910000000-cf7c2a31ebf20cf73de3
Source of Spectrum A1-9-579/SMS5-17a
Wiley ID 1760152