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(4R*)-4-[(R*)-1,3-Benzodioxol-5-yl(benzyloxy)methyl]-3,3-bis[3,4,5-trimethoxymethyl]dihydrofuran-2(3H)-one
SpectraBase Compound ID JzzIXWXNWUM
InChI InChI=1S/C39H42O11/c1-41-31-16-26(17-32(42-2)35(31)45-5)20-39(21-27-18-33(43-3)36(46-6)34(19-27)44-4)28(14-25-12-13-29-30(15-25)49-23-48-29)37(50-38(39)40)47-22-24-10-8-7-9-11-24/h7-13,15-19,28,37H,14,20-23H2,1-6H3/t28-,37?/m0/s1
InChIKey NNICEVFHMXWIMV-NJJKIRBJSA-N
Mol Weight 686.8 g/mol
Molecular Formula C39H42O11
Exact Mass 686.272712 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HgKCgS5V1e0
Name (4R*)-4-[(R*)-1,3-Benzodioxol-5-yl(benzyloxy)methyl]-3,3-bis[3,4,5-trimethoxymethyl]dihydrofuran-2(3H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H42O11
InChI InChI=1S/C39H42O11/c1-41-31-16-26(17-32(42-2)35(31)45-5)20-39(21-27-18-33(43-3)36(46-6)34(19-27)44-4)28(14-25-12-13-29-30(15-25)49-23-48-29)37(50-38(39)40)47-22-24-10-8-7-9-11-24/h7-13,15-19,28,37H,14,20-23H2,1-6H3/t28-,37?/m0/s1
InChIKey NNICEVFHMXWIMV-NJJKIRBJSA-N
Molecular Weight 686.754 g/mol
SMILES C1(C(OC([C@@]1(Cc1cc2OCOc2cc1)[H])OCc1ccccc1)=O)(Cc1cc(OC)c(c(c1)OC)OC)Cc1cc(OC)c(c(c1)OC)OC
SPLASH splash10-001i-0904000000-4e67cfa593f548d15714
Source of Spectrum F-62-3012-24
Wiley ID 1632754