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(2S,3R,4R)-2-(5-Methoxy-3,4-methylenedioxyphenyl)-4-(5-methoxy-3,4-methylenedioxybenzyl)-3-furanmethanol
SpectraBase Compound ID BHMalXd83ww
InChI InChI=1S/C22H24O8/c1-24-16-4-12(5-18-21(16)29-10-27-18)3-14-9-26-20(15(14)8-23)13-6-17(25-2)22-19(7-13)28-11-30-22/h4-7,14-15,20,23H,3,8-11H2,1-2H3/t14-,15-,20+/m0/s1
InChIKey NEKCZSOZRUNPLY-AUSJPIAWSA-N
Mol Weight 416.43 g/mol
Molecular Formula C22H24O8
Exact Mass 416.147118 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JtvBHcItz6s
Name (2S,3R,4R)-2-(5-Methoxy-3,4-methylenedioxyphenyl)-4-(5-methoxy-3,4-methylenedioxybenzyl)-3-furanmethanol
Appearance Colorless gum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H24O8
InChI InChI=1S/C22H24O8/c1-24-16-4-12(5-18-21(16)29-10-27-18)3-14-9-26-20(15(14)8-23)13-6-17(25-2)22-19(7-13)28-11-30-22/h4-7,14-15,20,23H,3,8-11H2,1-2H3/t14-,15-,20+/m0/s1
InChIKey NEKCZSOZRUNPLY-AUSJPIAWSA-N
Ionization Type EI
Literature Reference DOI 10.1021/np0604533
Molecular Weight 416.426 g/mol
Optical Rotation [a]D25 = +1.6 (c = 0.25, CHCl3)
Reported Formula C22H24O8
SMILES OC[C@@]1([C@](OC[C@@]1(Cc1cc2OCOc2c(c1)OC)[H])(c1cc(c2c(c1)OCO2)OC)[H])[H]
SPLASH splash10-014i-0900700000-9342395e95fd3bde905d
Source of Spectrum G4-70-547-5
Wiley ID 1874466