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(3R)-10,12-dibenzoxy-3-methyl-3,4,5,6,7,8-hexahydro-2-benzoxecin-1-one
SpectraBase Compound ID 69Msc26y1oq
InChI InChI=1S/C28H30O4/c1-21-11-5-2-10-16-24-17-25(30-19-22-12-6-3-7-13-22)18-26(27(24)28(29)32-21)31-20-23-14-8-4-9-15-23/h3-4,6-9,12-15,17-18,21H,2,5,10-11,16,19-20H2,1H3/t21-/m1/s1
InChIKey GCTHUUZQFDOGPI-OAQYLSRUSA-N
Mol Weight 430.54 g/mol
Molecular Formula C28H30O4
Exact Mass 430.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 24exWDCyjmL
Name (3R)-10,12-dibenzoxy-3-methyl-3,4,5,6,7,8-hexahydro-2-benzoxecin-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H30O4
InChI InChI=1S/C28H30O4/c1-21-11-5-2-10-16-24-17-25(30-19-22-12-6-3-7-13-22)18-26(27(24)28(29)32-21)31-20-23-14-8-4-9-15-23/h3-4,6-9,12-15,17-18,21H,2,5,10-11,16,19-20H2,1H3/t21-/m1/s1
InChIKey GCTHUUZQFDOGPI-OAQYLSRUSA-N
Molecular Weight 430.544 g/mol
SMILES c12c(CCCCC[C@](OC2=O)(C)[H])cc(cc1OCc1ccccc1)OCc1ccccc1
SPLASH splash10-0006-9200200000-9a6f28c34a02548c34fd
Source of Spectrum KC-57-5382-20
Synonyms (3R)-10,12-dibenzyloxy-3-methyl-3,4,5,6,7,8-hexahydro-2-benzoxecin-1-one (3R)-3-methyl-10,12-bis(phenylmethoxy)-3,4,5,6,7,8-hexahydro-2-benzoxecin-1-one
Wiley ID 1624643