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1,3-Dioxepane, 5,6-bis[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-, (5R-trans)-
SpectraBase Compound ID LxmTF8Vzg7C
InChI InChI=1S/C25H34O6/c1-25(2)30-15-19(11-17-7-9-21(26-3)23(13-17)28-5)20(16-31-25)12-18-8-10-22(27-4)24(14-18)29-6/h7-10,13-14,19-20H,11-12,15-16H2,1-6H3/t19-,20-/m0/s1
InChIKey RXQCHXLOXXUTAB-PMACEKPBSA-N
Mol Weight 430.5 g/mol
Molecular Formula C25H34O6
Exact Mass 430.235539 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E4ojOjUtEVY
Name 1,3-Dioxepane, 5,6-bis[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-, (5R-trans)-
Alternate Name(s) (5R,6R)-5,6-bis(3,4-dimethoxybenzyl)-2,2-dimethyl-1,3-dioxepane (8R,8'R)-9,9'-epoxy-3,4,3',4'-tetramethoxylignane (5R,6R)-5,6-bis[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-1,3-dioxepane
CAS Registry Number 119098-89-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H34O6
InChI InChI=1S/C25H34O6/c1-25(2)30-15-19(11-17-7-9-21(26-3)23(13-17)28-5)20(16-31-25)12-18-8-10-22(27-4)24(14-18)29-6/h7-10,13-14,19-20H,11-12,15-16H2,1-6H3/t19-,20-/m0/s1
InChIKey RXQCHXLOXXUTAB-PMACEKPBSA-N
Molecular Weight 430.541 g/mol
SMILES C1(OC[C@](Cc2cc(OC)c(cc2)OC)([C@](CO1)(Cc1cc(OC)c(cc1)OC)[H])[H])(C)C
SPLASH splash10-0udi-0911100000-2134fb4846f99b756198
Source of Spectrum B-41-317-17
Wiley ID 1381612