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2,6-Dibenzyl-2-(3,4-dimethoxyphenyl)-6-[3,4-(methylenedioxy)phenyl]-3,7-dioxobicyclo[3.3.0]octane-2,6-dicarboxylate
SpectraBase Compound ID JD7BZ8xfH29
InChI InChI=1S/C39H34O10/c1-44-30-15-13-26(17-32(30)45-2)38(36(42)46-21-24-9-5-3-6-10-24)28-19-35(41)39(29(28)20-34(38)40,27-14-16-31-33(18-27)49-23-48-31)37(43)47-22-25-11-7-4-8-12-25/h3-18,28-29H,19-23H2,1-2H3/t28?,29?,38-,39-/m0/s1
InChIKey KDMIINNLIISRJC-PKIHCBEUSA-N
Mol Weight 662.7 g/mol
Molecular Formula C39H34O10
Exact Mass 662.215197 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GqL32L9tKGH
Name 2,6-Dibenzyl-2-(3,4-dimethoxyphenyl)-6-[3,4-(methylenedioxy)phenyl]-3,7-dioxobicyclo[3.3.0]octane-2,6-dicarboxylate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H34O10
InChI InChI=1S/C39H34O10/c1-44-30-15-13-26(17-32(30)45-2)38(36(42)46-21-24-9-5-3-6-10-24)28-19-35(41)39(29(28)20-34(38)40,27-14-16-31-33(18-27)49-23-48-31)37(43)47-22-25-11-7-4-8-12-25/h3-18,28-29H,19-23H2,1-2H3/t28?,29?,38-,39-/m0/s1
InChIKey KDMIINNLIISRJC-PKIHCBEUSA-N
Molecular Weight 662.691 g/mol
SMILES [C@@]1(C2C([C@](c3cc(OC)c(cc3)OC)(C(OCc3ccccc3)=O)C(C2)=O)CC1=O)(c1cc2OCOc2cc1)C(OCc1ccccc1)=O
SPLASH splash10-03di-0000029000-64a58a27811b2d5666ff
Source of Spectrum J-60-6210-4
Synonyms (1R,4R)-1-Benzo[1,3]dioxol-5-yl-4-(3,4-dimethoxy-phenyl)-2,5-dioxo-octahydro-pentalene-1,4-dicarboxylic acid dibenzyl ester dibenzyl 1-(1,3-benzodioxol-5-yl)-4-(3,4-dimethoxyphenyl)-2,5-dioxooctahydro-1,4-pentalenedicarboxylate
Wiley ID 1413653