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(2R,5R,9S,9aR,10R)-2,3,4,5,7,8,9,9a-Octahydro-5-(2'-methoxyethoxymethoxy)-10-[(4'-methoxyphenyl)methoxy]-2,9-methano-1-benzoxepin-2-ol

View entire compound with spectra: 1 MS (GC)

(2R,5R,9S,9aR,10R)-2,3,4,5,7,8,9,9a-Octahydro-5-(2'-methoxyethoxymethoxy)-10-[(4'-methoxyphenyl)methoxy]-2,9-methano-1-benzoxepin-2-ol
SpectraBase Compound ID Iwen7tZrEsA
InChI InChI=1S/C23H32O7/c1-25-12-13-27-15-29-20-10-11-23(24)22(19-5-3-4-18(20)21(19)30-23)28-14-16-6-8-17(26-2)9-7-16/h4,6-9,19-22,24H,3,5,10-15H2,1-2H3/t19-,20+,21-,22+,23+/m0/s1
InChIKey NUAQROUBJJXOMV-JFDBCFPISA-N
Mol Weight 420.5 g/mol
Molecular Formula C23H32O7
Exact Mass 420.214803 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7XdIqZUFyLF
Name (2R,5R,9S,9aR,10R)-2,3,4,5,7,8,9,9a-Octahydro-5-(2'-methoxyethoxymethoxy)-10-[(4'-methoxyphenyl)methoxy]-2,9-methano-1-benzoxepin-2-ol
Alternate Name(s) (1R,4R,9S,10R,12R)-12-[(4-methoxybenzyl)oxy]-4-[(2-methoxyethoxy)methoxy]-11-oxatricyclo[7.2.1.0(5,10)]dodec-5-en-1-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H32O7
InChI InChI=1S/C23H32O7/c1-25-12-13-27-15-29-20-10-11-23(24)22(19-5-3-4-18(20)21(19)30-23)28-14-16-6-8-17(26-2)9-7-16/h4,6-9,19-22,24H,3,5,10-15H2,1-2H3/t19-,20+,21-,22+,23+/m0/s1
InChIKey NUAQROUBJJXOMV-JFDBCFPISA-N
Molecular Weight 420.502 g/mol
SMILES O[C@]12O[C@]3(C([C@@](CC2)(OCOCCOC)[H])=CCC[C@@]3([C@]1(OCc1ccc(cc1)OC)[H])[H])[H]
SPLASH splash10-00di-0900000000-9c639c9beabb5029ad68
Source of Spectrum K-2001-2201-18
Wiley ID 1579617