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3H-2-Benzopyran-3-one, 1,4,4a,7,8,8a-hexahydro-7-hydroxy-8a-[(phenylmethoxy)methyl]-, (4a.alpha.,7.alpha.,8a.alpha.)-(.+-.)-
SpectraBase Compound ID BV4WlnqSTly
InChI InChI=1S/C17H20O4/c18-15-7-6-14-8-16(19)21-12-17(14,9-15)11-20-10-13-4-2-1-3-5-13/h1-7,14-15,18H,8-12H2/t14-,15+,17-/m0/s1
InChIKey IJMOAMGGXPCYFS-UXLLHSPISA-N
Mol Weight 288.34 g/mol
Molecular Formula C17H20O4
Exact Mass 288.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CbgD8lGi03D
Name 3H-2-Benzopyran-3-one, 1,4,4a,7,8,8a-hexahydro-7-hydroxy-8a-[(phenylmethoxy)methyl]-, (4a.alpha.,7.alpha.,8a.alpha.)-(.+-.)-
CAS Registry Number 74269-73-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20O4
InChI InChI=1S/C17H20O4/c18-15-7-6-14-8-16(19)21-12-17(14,9-15)11-20-10-13-4-2-1-3-5-13/h1-7,14-15,18H,8-12H2/t14-,15+,17-/m0/s1
InChIKey IJMOAMGGXPCYFS-UXLLHSPISA-N
Molecular Weight 288.343 g/mol
SMILES O[C@@]1(C=C[C@@]2([C@@](COC(=O)C2)(C1)COCc1ccccc1)[H])[H]
SPLASH splash10-0006-9000000000-6328fd296c69555494ab
Source of Spectrum F-35-2394-0
Synonyms (4aR,7S,8aS)-8a-[(benzyloxy)methyl]-7-hydroxy-1,4,4a,7,8,8a-hexahydro-3H-2-benzopyran-3-one 8a.alpha.-benzyloxymethyl-7.alpha.-hydroxy-4a.alpha.,7,8,8a-tetrahydroisochroman-3-one
Wiley ID 1291808