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Furan, 2-(3,4-dimethoxyphenyl)tetrahydro-4-[[(methylsulfonyl)methoxy]phenylmethyl]-3-(phenylsulfonyl)-, [2S-[2.alpha.,3.beta.,4.alpha.(R*)]]-
SpectraBase Compound ID JBf0DX5XlJB
InChI InChI=1S/C27H30O8S2/c1-32-23-15-14-20(16-24(23)33-2)26-27(37(30,31)21-12-8-5-9-13-21)22(17-34-26)25(35-18-36(3,28)29)19-10-6-4-7-11-19/h4-16,22,25-27H,17-18H2,1-3H3/t22-,25?,26+,27-/m1/s1
InChIKey UBUYFVAGGDHRJC-DZSGVRKHSA-N
Mol Weight 546.65 g/mol
Molecular Formula C27H30O8S2
Exact Mass 546.13821 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4rIbTNe7bMc
Name Furan, 2-(3,4-dimethoxyphenyl)tetrahydro-4-[[(methylsulfonyl)methoxy]phenylmethyl]-3-(phenylsulfonyl)-, [2S-[2.alpha.,3.beta.,4.alpha.(R*)]]-
CAS Registry Number 131575-98-9
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H30O8S2
InChI InChI=1S/C27H30O8S2/c1-32-23-15-14-20(16-24(23)33-2)26-27(37(30,31)21-12-8-5-9-13-21)22(17-34-26)25(35-18-36(3,28)29)19-10-6-4-7-11-19/h4-16,22,25-27H,17-18H2,1-3H3/t22-,25?,26+,27-/m1/s1
InChIKey UBUYFVAGGDHRJC-DZSGVRKHSA-N
Molecular Weight 546.649 g/mol
SMILES [C@]1(S(=O)(=O)c2ccccc2)([C@@](C(OCS(=O)(=O)C)c2ccccc2)(CO[C@]1(c1cc(OC)c(cc1)OC)[H])[H])[H]
SPLASH splash10-0a4i-0090000000-ee741e4ca2c68f78ca76
Source of Spectrum KC-1990-2789-31
Synonyms (2S,3R,4R)-2-(3,4-dimethoxyphenyl)-4-[(S)-[(methylsulfonyl)methoxy](phenyl)methyl]-3-(phenylsulfonyl)tetrahydrofuran (2S,3S,4R,.alpha.S)-2-(3,4-Dimethoxyphenyl)-3-phenylsulphonyl-4-(.alpha.-methylsulphonylmethoxybenzyl)tetrahy-drofuran
Wiley ID 1405227