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benzyl 2,4-di-O-benzyl-2''-O-methylgyrophorate
SpectraBase Compound ID KiWYj10XK1d
InChI InChI=1S/C46H40O10/c1-29-21-36(23-38(47)41(29)45(49)56-37-22-31(3)42(39(25-37)51-4)44(48)54-28-34-18-12-7-13-19-34)55-46(50)43-30(2)20-35(52-26-32-14-8-5-9-15-32)24-40(43)53-27-33-16-10-6-11-17-33/h5-25,47H,26-28H2,1-4H3
InChIKey HJUPCTBUIRGMQK-UHFFFAOYSA-N
Mol Weight 752.8 g/mol
Molecular Formula C46H40O10
Exact Mass 752.262147 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JlPtaMU4bgL
Name benzyl 2,4-di-O-benzyl-2''-O-methylgyrophorate
Comments Less than 3 mono-isotopic peaks
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Formula C46H40O10
InChI InChI=1S/C46H40O10/c1-29-21-36(23-38(47)41(29)45(49)56-37-22-31(3)42(39(25-37)51-4)44(48)54-28-34-18-12-7-13-19-34)55-46(50)43-30(2)20-35(52-26-32-14-8-5-9-15-32)24-40(43)53-27-33-16-10-6-11-17-33/h5-25,47H,26-28H2,1-4H3
InChIKey HJUPCTBUIRGMQK-UHFFFAOYSA-N
Molecular Weight 752.816 g/mol
SMILES Oc1cc(OC(c2c(cc(cc2C)OCc2ccccc2)OCc2ccccc2)=O)cc(c1C(Oc1cc(OC)c(c(c1)C)C(OCc1ccccc1)=O)=O)C
SPLASH splash10-0006-9030000000-8c78eb9303a3ecef8b6a
Source of Spectrum B-48-1761-15
Synonyms Benzyl 2,4-di-O-benzyl-2''-O-methylgyrophorate
Wiley ID 1416111