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2-Benzyloxy-5-(benzoyloxy)-8,9-dimethoxy-8,9-dimethyl-3,7,10-trioxabicyclo[4.4.0]decane
SpectraBase Compound ID IzWS8hTALSi
InChI InChI=1S/C25H30O8/c1-24(27-3)25(2,28-4)33-21-20(32-24)19(31-22(26)18-13-9-6-10-14-18)16-30-23(21)29-15-17-11-7-5-8-12-17/h5-14,19-21,23H,15-16H2,1-4H3/t19-,20-,21+,23-,24?,25?/m0/s1
InChIKey NPWBIJVEMVMILK-AZGLNFAESA-N
Mol Weight 458.51 g/mol
Molecular Formula C25H30O8
Exact Mass 458.194068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Bk2dZFljhn
Name 2-Benzyloxy-5-(benzoyloxy)-8,9-dimethoxy-8,9-dimethyl-3,7,10-trioxabicyclo[4.4.0]decane
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H30O8
InChI InChI=1S/C25H30O8/c1-24(27-3)25(2,28-4)33-21-20(32-24)19(31-22(26)18-13-9-6-10-14-18)16-30-23(21)29-15-17-11-7-5-8-12-17/h5-14,19-21,23H,15-16H2,1-4H3/t19-,20-,21+,23-,24?,25?/m0/s1
InChIKey NPWBIJVEMVMILK-AZGLNFAESA-N
Molecular Weight 458.507 g/mol
SMILES [C@]12([C@@](OC(C(O2)(OC)C)(OC)C)([C@@](OC(=O)c2ccccc2)(CO[C@@]1(OCc1ccccc1)[H])[H])[H])[H]
SPLASH splash10-0006-0000900000-4c07a96f5eb613bea4f4
Source of Spectrum F-59-2164-16
Wiley ID 1677578