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3-Carbomethoxy-6,7-dimethoxy-1-(3',4'-dimethoxyphenyl)-1,2,3,4-tetrahydronapthalene-(2,3-trans)-2-carboxylic Acid
SpectraBase Compound ID 1Wa7TvHY2Pb
InChI InChI=1S/C22H26O7/c1-26-16-6-5-12(8-17(16)27-2)20-15-10-19(29-4)18(28-3)9-13(15)7-14(11-23)21(20)22(24)25/h5-6,8-10,14,20-21,23H,7,11H2,1-4H3,(H,24,25)/t14-,20+,21-/m1/s1
InChIKey MBWLHOLLOKIWOX-PUCZYUMASA-N
Mol Weight 402.44 g/mol
Molecular Formula C22H26O7
Exact Mass 402.167853 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Drsh5KHnl4t
Name 3-Carbomethoxy-6,7-dimethoxy-1-(3',4'-dimethoxyphenyl)-1,2,3,4-tetrahydronapthalene-(2,3-trans)-2-carboxylic Acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26O7
InChI InChI=1S/C22H26O7/c1-26-16-6-5-12(8-17(16)27-2)20-15-10-19(29-4)18(28-3)9-13(15)7-14(11-23)21(20)22(24)25/h5-6,8-10,14,20-21,23H,7,11H2,1-4H3,(H,24,25)/t14-,20+,21-/m1/s1
InChIKey MBWLHOLLOKIWOX-PUCZYUMASA-N
Molecular Weight 402.443 g/mol
SMILES OC([C@]1([C@](c2c(C[C@@]1(CO)[H])cc(c(c2)OC)OC)(c1cc(OC)c(cc1)OC)[H])[H])=O
SPLASH splash10-001i-0129000000-4ee5f1f1afe900781ea0
Source of Spectrum J-58-4138-25
Synonyms (1S,2S,3S)-1-(3,4-Dimethoxy-phenyl)-3-hydroxymethyl-6,7-dimethoxy-1,2,3,4-tetrahydro-naphthalene-2-carboxylic acid
Wiley ID 1370373