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trans-11-Benzyloxy-7-(hydroxymethyl)-9-[5-methyl-3-(benzyloxymethyl)uracil]-3,5,8-trioxabicyclo[5.3.0]decane
SpectraBase Compound ID 2Bq3hBaYOAq
InChI InChI=1S/C28H32N2O8/c1-21-13-29(26(33)30(25(21)32)19-34-14-22-8-4-2-5-9-22)24-12-27(37-15-23-10-6-3-7-11-23)17-35-20-36-18-28(27,16-31)38-24/h2-11,13,24,31H,12,14-20H2,1H3/t24?,27-,28-/m0/s1
InChIKey BSSVCADJAAXYAY-ACFUZCEKSA-N
Mol Weight 524.6 g/mol
Molecular Formula C28H32N2O8
Exact Mass 524.215866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HryljVOieQ
Name trans-11-Benzyloxy-7-(hydroxymethyl)-9-[5-methyl-3-(benzyloxymethyl)uracil]-3,5,8-trioxabicyclo[5.3.0]decane
Comments Less than 3 mono-isotopic peaks
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Formula C28H32N2O8
InChI InChI=1S/C28H32N2O8/c1-21-13-29(26(33)30(25(21)32)19-34-14-22-8-4-2-5-9-22)24-12-27(37-15-23-10-6-3-7-11-23)17-35-20-36-18-28(27,16-31)38-24/h2-11,13,24,31H,12,14-20H2,1H3/t24?,27-,28-/m0/s1
InChIKey BSSVCADJAAXYAY-ACFUZCEKSA-N
Molecular Weight 524.570 g/mol
SMILES OC[C@@]12OC(N3C(N(COCc4ccccc4)C(C(=C3)C)=O)=O)C[C@]1(OCc1ccccc1)COCOC2
SPLASH splash10-0006-9000000000-99d192a98f391e43f790
Source of Spectrum Y1-45-4804-12
Wiley ID 1622045