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(1R,2R,3S,4S,5E,6R)-3-ethenyl-5-(2-methoxyethoxymethoxymethylidene)-2-[(4-methoxyphenyl)methoxy]bicyclo[2.2.2]octane-3,6-diol

View entire compound with spectra: 1 MS (GC)

(1R,2R,3S,4S,5E,6R)-3-ethenyl-5-(2-methoxyethoxymethoxymethylidene)-2-[(4-methoxyphenyl)methoxy]bicyclo[2.2.2]octane-3,6-diol
SpectraBase Compound ID LSpgpOXq2BG
InChI InChI=1S/C23H32O7/c1-4-23(25)20-10-9-18(21(24)19(20)14-29-15-28-12-11-26-2)22(23)30-13-16-5-7-17(27-3)8-6-16/h4-8,14,18,20-22,24-25H,1,9-13,15H2,2-3H3/b19-14+/t18-,20+,21-,22-,23+/m1/s1
InChIKey QKCDTAJWPONVQA-YXVFMXGUSA-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 EO5l0vEJu2m
Name (1R,2R,3S,4S,5E,6R)-3-ethenyl-5-(2-methoxyethoxymethoxymethylidene)-2-[(4-methoxyphenyl)methoxy]bicyclo[2.2.2]octane-3,6-diol
Alternate Name(s) (1R,2R,3S,4S,5E,6R)-5-(2-methoxyethoxymethoxymethylene)-2-p-anisyloxy-3-vinyl-bicyclo[2.2.2]octane-3,6-diol (1R,2R,3S,4S,5E,6R)-5-(2-methoxyethoxymethoxymethylene)-2-[(4-methoxyphenyl)methoxy]-3-vinyl-bicyclo[2.2.2]octane-3,6-diol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H32O7
InChI InChI=1S/C23H32O7/c1-4-23(25)20-10-9-18(21(24)19(20)14-29-15-28-12-11-26-2)22(23)30-13-16-5-7-17(27-3)8-6-16/h4-8,14,18,20-22,24-25H,1,9-13,15H2,2-3H3/b19-14+/t18-,20+,21-,22-,23+/m1/s1
InChIKey QKCDTAJWPONVQA-YXVFMXGUSA-N
Molecular Weight 420.502 g/mol
SMILES O[C@@]1([C@@]([C@]2([C@](\C([C@@]1(CC2)[H])=C\OCOCCOC)(O)[H])[H])(OCc1ccc(cc1)OC)[H])C=C
SPLASH splash10-00di-0900000000-ea0de766a0b7ecd1d68b
Source of Spectrum K-2001-2201-16
Wiley ID 1579619