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(2R,5R,9S,9aR,10R)-2,3,4,5,7,8,9,9a-Octahydro-2-methoxy-10-[(4'-methoxyphenyl)methoxy]-2,9-methano-1-benzoxepine-5-ol
SpectraBase Compound ID 2Y8gzW3wdNv
InChI InChI=1S/C20H26O5/c1-22-14-8-6-13(7-9-14)12-24-19-16-5-3-4-15-17(21)10-11-20(19,23-2)25-18(15)16/h4,6-9,16-19,21H,3,5,10-12H2,1-2H3/t16-,17+,18?,19+,20-/m0/s1
InChIKey AFSYJCITMXMNMH-AWVDOLCDSA-N
Mol Weight 346.42 g/mol
Molecular Formula C20H26O5
Exact Mass 346.178024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2wsGZiTdS8G
Name (2R,5R,9S,9aR,10R)-2,3,4,5,7,8,9,9a-Octahydro-2-methoxy-10-[(4'-methoxyphenyl)methoxy]-2,9-methano-1-benzoxepine-5-ol
Alternate Name(s) (1S,4R,9S,10R,12R)-1-methoxy-12-[(4-methoxybenzyl)oxy]-11-oxatricyclo[7.2.1.0(5,10)]dodec-5-en-4-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26O5
InChI InChI=1S/C20H26O5/c1-22-14-8-6-13(7-9-14)12-24-19-16-5-3-4-15-17(21)10-11-20(19,23-2)25-18(15)16/h4,6-9,16-19,21H,3,5,10-12H2,1-2H3/t16-,17+,18?,19+,20-/m0/s1
InChIKey AFSYJCITMXMNMH-AWVDOLCDSA-N
Molecular Weight 346.423 g/mol
SMILES O[C@]1(C=2C3[C@@]([C@]([C@](CC1)(O3)OC)(OCc1ccc(cc1)OC)[H])(CCC2)[H])[H]
SPLASH splash10-00di-0900000000-4a8e399ca3746926d64f
Source of Spectrum K-2001-2201-21
Wiley ID 1579614