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3-Furanmethanol, 5-(3,4-dimethoxyphenyl)tetrahydro-.alpha.-phenyl-4-(phenylsulfonyl)-, [3R-[3.alpha.(S*),4.beta.,5.alpha.]]-
SpectraBase Compound ID 62k0dcCmIks
InChI InChI=1S/C25H26O6S/c1-29-21-14-13-18(15-22(21)30-2)24-25(32(27,28)19-11-7-4-8-12-19)20(16-31-24)23(26)17-9-5-3-6-10-17/h3-15,20,23-26H,16H2,1-2H3/t20-,23?,24+,25+/m1/s1
InChIKey JRCDUQPXXUKDQK-YZMDZPLRSA-N
Mol Weight 454.54 g/mol
Molecular Formula C25H26O6S
Exact Mass 454.14501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Aq1De2COG3
Name 3-Furanmethanol, 5-(3,4-dimethoxyphenyl)tetrahydro-.alpha.-phenyl-4-(phenylsulfonyl)-, [3R-[3.alpha.(S*),4.beta.,5.alpha.]]-
Alternate Name(s) (2S,3S,4R,.alpha.S)-2-(3,4-Dimethoxyphenyl)-3-phenylsulphonyl-4-(.alpha.-hydroxybenzyl)tetrahydrofuran [(3R,4S,5S)-5-(3,4-dimethoxyphenyl)-4-(phenylsulfonyl)tetrahydro-3-furanyl](phenyl)methanol
CAS Registry Number 131575-94-5
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H26O6S
InChI InChI=1S/C25H26O6S/c1-29-21-14-13-18(15-22(21)30-2)24-25(32(27,28)19-11-7-4-8-12-19)20(16-31-24)23(26)17-9-5-3-6-10-17/h3-15,20,23-26H,16H2,1-2H3/t20-,23?,24+,25+/m1/s1
InChIKey JRCDUQPXXUKDQK-YZMDZPLRSA-N
Molecular Weight 454.537 g/mol
SMILES OC([C@@]1([C@](S(=O)(=O)c2ccccc2)([C@@](OC1)(c1cc(OC)c(cc1)OC)[H])[H])[H])c1ccccc1
SPLASH splash10-0a4i-0090000000-1f70483c02765ddc10de
Source of Spectrum KC-1990-2788-31
Wiley ID 1388760