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(+-)-(2.alpha.,4.alpha.,5.beta.,5a.alpha.)-4-(4-Hydroxy-3-methoxyphenyl)-2,5a-methano-7-methoxy-5-methyl-8H-2,3,4,5-tetrahydro-1-benzoxepin-8-one

View entire compound with spectra: 1 MS (GC)

(+-)-(2.alpha.,4.alpha.,5.beta.,5a.alpha.)-4-(4-Hydroxy-3-methoxyphenyl)-2,5a-methano-7-methoxy-5-methyl-8H-2,3,4,5-tetrahydro-1-benzoxepin-8-one
SpectraBase Compound ID 5eLhQWsu9Yq
InChI InChI=1S/C20H22O5/c1-11-14(12-4-5-15(21)17(6-12)23-2)7-13-9-20(11)10-18(24-3)16(22)8-19(20)25-13/h4-6,8,10-11,13-14,21H,7,9H2,1-3H3/t11-,13+,14+,20-/m0/s1
InChIKey YHMHDDFMUKZKBX-ZBQLUDKISA-N
Mol Weight 342.39 g/mol
Molecular Formula C20H22O5
Exact Mass 342.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID jw1mJobMUV
Name (+-)-(2.alpha.,4.alpha.,5.beta.,5a.alpha.)-4-(4-Hydroxy-3-methoxyphenyl)-2,5a-methano-7-methoxy-5-methyl-8H-2,3,4,5-tetrahydro-1-benzoxepin-8-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22O5
InChI InChI=1S/C20H22O5/c1-11-14(12-4-5-15(21)17(6-12)23-2)7-13-9-20(11)10-18(24-3)16(22)8-19(20)25-13/h4-6,8,10-11,13-14,21H,7,9H2,1-3H3/t11-,13+,14+,20-/m0/s1
InChIKey YHMHDDFMUKZKBX-ZBQLUDKISA-N
Molecular Weight 342.391 g/mol
SMILES Oc1ccc([C@]2([C@@]([C@]34C(=CC(C(=C4)OC)=O)O[C@@](C3)(C2)[H])(C)[H])[H])cc1OC
SPLASH splash10-01r6-0908000000-0e25ba431ca91dd4a1d8
Source of Spectrum J-58-5367-14
Synonyms (1R,8R,10R,11S)-10-(4-hydroxy-3-methoxyphenyl)-3-methoxy-11-methyl-7-oxatricyclo[6.3.1.0(1,6)]dodeca-2,5-dien-4-one
Wiley ID 1336674