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Carbonic acid, [5-(3,4-dimethoxyphenyl)tetrahydro-4-(phenylsulfonyl)-3-furanyl]phenylmethyl ethyl ester, [3R-[3.alpha.(S*),4.beta.,5.alpha.]]-
SpectraBase Compound ID HylCMziAmEf
InChI InChI=1S/C28H30O8S/c1-4-34-28(29)36-25(19-11-7-5-8-12-19)22-18-35-26(20-15-16-23(32-2)24(17-20)33-3)27(22)37(30,31)21-13-9-6-10-14-21/h5-17,22,25-27H,4,18H2,1-3H3/t22-,25?,26+,27+/m1/s1
InChIKey AGMWRQAWFHRNHW-QSFBMHPYSA-N
Mol Weight 526.6 g/mol
Molecular Formula C28H30O8S
Exact Mass 526.166139 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2RdJtQYljFx
Name Carbonic acid, [5-(3,4-dimethoxyphenyl)tetrahydro-4-(phenylsulfonyl)-3-furanyl]phenylmethyl ethyl ester, [3R-[3.alpha.(S*),4.beta.,5.alpha.]]-
CAS Registry Number 131575-95-6
Comments Less than 3 mono-isotopic peaks
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Formula C28H30O8S
InChI InChI=1S/C28H30O8S/c1-4-34-28(29)36-25(19-11-7-5-8-12-19)22-18-35-26(20-15-16-23(32-2)24(17-20)33-3)27(22)37(30,31)21-13-9-6-10-14-21/h5-17,22,25-27H,4,18H2,1-3H3/t22-,25?,26+,27+/m1/s1
InChIKey AGMWRQAWFHRNHW-QSFBMHPYSA-N
Molecular Weight 526.600 g/mol
SMILES [C@@]1(S(=O)(=O)c2ccccc2)([C@@](C(OC(=O)OCC)c2ccccc2)(CO[C@]1(c1cc(OC)c(cc1)OC)[H])[H])[H]
SPLASH splash10-0a4i-0090010000-2502a28e4587f61a5c01
Source of Spectrum KC-1990-2788-31
Synonyms (2S,3S,4R,.alpha.S)-2-(3,4-Dimethoxyphenyl)-3-phenylsulphonyl-4-(.alpha.-ethoxycarbonyloxybenzyl)tetrahydrofuran [(3R,4S,5S)-5-(3,4-dimethoxyphenyl)-4-(phenylsulfonyl)tetrahydro-3-furanyl](phenyl)methyl ethyl carbonate
Wiley ID 1402810