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5H-Oxireno[g][2]benzopyran-5-one, octahydro-7-hydroxy-2a-[(phenylmethoxy)methyl]-, (1a.alpha.,2a.beta.,6a.beta.,7.alpha.,7a.alpha.)-(.+-.)-
SpectraBase Compound ID 3DiIXdRVvWG
InChI InChI=1S/C17H20O5/c18-13-7-17(9-20-8-11-4-2-1-3-5-11)10-21-14(19)6-12(17)15-16(13)22-15/h1-5,12-13,15-16,18H,6-10H2/t12-,13+,15-,16+,17+/m0/s1
InChIKey GOQWRPATEAPSJL-GMBUGEKQSA-N
Mol Weight 304.34 g/mol
Molecular Formula C17H20O5
Exact Mass 304.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ceeqh3odue6
Name 5H-Oxireno[g][2]benzopyran-5-one, octahydro-7-hydroxy-2a-[(phenylmethoxy)methyl]-, (1a.alpha.,2a.beta.,6a.beta.,7.alpha.,7a.alpha.)-(.+-.)-
CAS Registry Number 74269-81-1
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20O5
InChI InChI=1S/C17H20O5/c18-13-7-17(9-20-8-11-4-2-1-3-5-11)10-21-14(19)6-12(17)15-16(13)22-15/h1-5,12-13,15-16,18H,6-10H2/t12-,13+,15-,16+,17+/m0/s1
InChIKey GOQWRPATEAPSJL-GMBUGEKQSA-N
Molecular Weight 304.342 g/mol
SMILES O[C@]1([C@@]2([C@@](O2)([C@]2([C@@](C1)(COC(C2)=O)COCc1ccccc1)[H])[H])[H])[H]
SPLASH splash10-0002-0900000000-866ea6c2731348ef5a18
Source of Spectrum F-35-2395-0
Synonyms (1aR,2R,3aR,7aR,7bS)-3a-[(benzyloxy)methyl]-2-hydroxyoctahydro-6H-oxireno[2,3-f][2]benzopyran-6-one 8a.alpha.-benzyloxy methyl-5.alpha.,6.alpha.-epoxy-7.alpha.-hydroxy-3-oxo-4a.alpha.-perhydroisochromane
Wiley ID 1306443