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.beta.-D-Glucopyranoside, 1-penten-4-yne-1,5-diylbis(2-methoxy-4,1-phenylene) bis-, (E)-
SpectraBase Compound ID FXMMIM1K9QB
InChI InChI=1S/C31H38O14/c1-40-20-12-16(8-10-18(20)42-30-28(38)26(36)24(34)22(14-32)44-30)6-4-3-5-7-17-9-11-19(21(13-17)41-2)43-31-29(39)27(37)25(35)23(15-33)45-31/h4,6,8-13,22-39H,3,14-15H2,1-2H3/b6-4+/t22-,23-,24-,25-,26+,27+,28-,29-,30-,31-/m1/s1
InChIKey NWLHGOCWFQDYAG-VBWHWWQFSA-N
Mol Weight 634.6 g/mol
Molecular Formula C31H38O14
Exact Mass 634.226156 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HaRxsB4gZfA
Name .beta.-D-Glucopyranoside, 1-penten-4-yne-1,5-diylbis(2-methoxy-4,1-phenylene) bis-, (E)-
CAS Registry Number 83643-95-2
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H38O14
InChI InChI=1S/C31H38O14/c1-40-20-12-16(8-10-18(20)42-30-28(38)26(36)24(34)22(14-32)44-30)6-4-3-5-7-17-9-11-19(21(13-17)41-2)43-31-29(39)27(37)25(35)23(15-33)45-31/h4,6,8-13,22-39H,3,14-15H2,1-2H3/b6-4+/t22-,23-,24-,25-,26+,27+,28-,29-,30-,31-/m1/s1
InChIKey NWLHGOCWFQDYAG-VBWHWWQFSA-N
Molecular Weight 634.631 g/mol
SMILES O[C@@]1([C@]([C@](Oc2ccc(\C=C\CC#Cc3ccc(O[C@]4([C@@]([C@]([C@@]([C@@](CO)(O4)[H])(O)[H])(O)[H])(O)[H])[H])c(c3)OC)cc2OC)(O[C@@]([C@]1(O)[H])(CO)[H])[H])(O)[H])[H]
SPLASH splash10-03di-9003001000-0fb639318c7c764f4d59
Source of Spectrum F-38-1686-0
Synonyms 4-{(1E)-5-[4-(.beta.-D-glucopyranosyloxy)-3-methoxyphenyl]-1-penten-4-ynyl}-2-methoxyphenyl .beta.-D-glucopyranoside Dimethylhypoxoside
Wiley ID 1412277