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Benzyl 3-benzyloxy-4-O-methylgyrophorate
SpectraBase Compound ID 5H2GVDwieDR
InChI InChI=1S/C39H34O11/c1-22-15-27(18-29(40)32(22)37(43)48-21-26-13-9-6-10-14-26)49-38(44)33-23(2)16-28(19-30(33)41)50-39(45)34-24(3)17-31(46-4)36(35(34)42)47-20-25-11-7-5-8-12-25/h5-19,40-42H,20-21H2,1-4H3
InChIKey IZTDVJARNPAOOJ-UHFFFAOYSA-N
Mol Weight 678.7 g/mol
Molecular Formula C39H34O11
Exact Mass 678.210112 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LobTEOF8Pjb
Name Benzyl 3-benzyloxy-4-O-methylgyrophorate
Comments Less than 3 mono-isotopic peaks
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Formula C39H34O11
InChI InChI=1S/C39H34O11/c1-22-15-27(18-29(40)32(22)37(43)48-21-26-13-9-6-10-14-26)49-38(44)33-23(2)16-28(19-30(33)41)50-39(45)34-24(3)17-31(46-4)36(35(34)42)47-20-25-11-7-5-8-12-25/h5-19,40-42H,20-21H2,1-4H3
InChIKey IZTDVJARNPAOOJ-UHFFFAOYSA-N
Molecular Weight 678.690 g/mol
SMILES Oc1cc(cc(c1C(Oc1cc(c(c(c1)C)C(OCc1ccccc1)=O)O)=O)C)OC(c1c(c(OCc2ccccc2)c(cc1C)OC)O)=O
SPLASH splash10-0006-9000000000-8dc84b814745b9a9d202
Source of Spectrum B-51-1048-22
Synonyms 4-({4-[(benzyloxy)carbonyl]-3-hydroxy-5-methylphenoxy}carbonyl)-3-hydroxy-5-methylphenyl 3-(benzyloxy)-2-hydroxy-4-methoxy-6-methylbenzoate
Wiley ID 745875