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{2,4-Bis-[1,3]dithian-2-yl-5-[hydroxy-(3,4,5-trimethoxy-phenyl)-methyl]-phenyl}-(3,4,5-trimethoxy-phenyl)-methanol
SpectraBase Compound ID 21HEp1DZysd
InChI InChI=1S/C34H42O8S4/c1-37-25-13-19(14-26(38-2)31(25)41-5)29(35)21-17-22(30(36)20-15-27(39-3)32(42-6)28(16-20)40-4)24(34-45-11-8-12-46-34)18-23(21)33-43-9-7-10-44-33/h13-18,29-30,33-36H,7-12H2,1-6H3
InChIKey GYBKLIDCVQTBQW-UHFFFAOYSA-N
Mol Weight 706.9 g/mol
Molecular Formula C34H42O8S4
Exact Mass 706.176253 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H0PkstYRWYs
Name {2,4-Bis-[1,3]dithian-2-yl-5-[hydroxy-(3,4,5-trimethoxy-phenyl)-methyl]-phenyl}-(3,4,5-trimethoxy-phenyl)-methanol
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 706.176253000 u
Formula C34H42O8S4
InChI InChI=1S/C34H42O8S4/c1-37-25-13-19(14-26(38-2)31(25)41-5)29(35)21-17-22(30(36)20-15-27(39-3)32(42-6)28(16-20)40-4)24(34-45-11-8-12-46-34)18-23(21)33-43-9-7-10-44-33/h13-18,29-30,33-36H,7-12H2,1-6H3
InChIKey GYBKLIDCVQTBQW-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/chem.201903027
Molecular Weight 706.942 g/mol
Reported Formula C34H42O8S4
SMILES OC(C=1C(=CC(=C(C(C2=CC(=C(C(=C2)OC)OC)OC)O)C1)C1SCCCS1)C1SCCCS1)C1=CC(=C(C(=C1)OC)OC)OC
SPLASH splash10-0udl-0000920000-80d426189e261a460b83
Source of Spectrum QE-25-SM11-12 (DOI: 10.1002/chem.201903027)
Wiley ID 1893916