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1-Benzyl-2,5-dimethoxy-1-(hydroxymethyl)-4-(2,5-dimethoxy-.alpha.-hydroxybenzyl)-2,5-cyclohexadiene
SpectraBase Compound ID 3zLRnOoMgZS
InChI InChI=1S/C25H30O6/c1-28-18-10-11-21(29-2)19(12-18)24(27)20-13-23(31-4)25(16-26,15-22(20)30-3)14-17-8-6-5-7-9-17/h5-13,15,20,24,26-27H,14,16H2,1-4H3/t20-,24+,25+/m1/s1
InChIKey MDAWCEKXFMTFMP-YNJKOYDBSA-N
Mol Weight 426.51 g/mol
Molecular Formula C25H30O6
Exact Mass 426.204239 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AiyNJb6Uyxs
Name 1-Benzyl-2,5-dimethoxy-1-(hydroxymethyl)-4-(2,5-dimethoxy-.alpha.-hydroxybenzyl)-2,5-cyclohexadiene
Alternate Name(s) (R)-((1S,4S)-4-Benzyl-4-hydroxymethyl-2,5-dimethoxy-cyclohexa-2,5-dienyl)-(2,5-dimethoxy-phenyl)-methanol [4-benzyl-4-(hydroxymethyl)-2,5-dimethoxy-2,5-cyclohexadien-1-yl](2,5-dimethoxyphenyl)methanol (R)-(2,5-dimethoxyphenyl)-[(1S,4S)-4-(hydroxymethyl)-2,5-dimethoxy-4-(phenylmethyl)-1-cyclohexa-2,5-dienyl]methanol (R)-[(1S,4S)-4-benzyl-4-(hydroxymethyl)-2,5-dimethoxycyclohexa-2,5-dien-1-yl]-(2,5-dimethoxyphenyl)methanol (R)-[(1S,4S)-4-benzyl-4-(hydroxymethyl)-2,5-dimethoxy-cyclohexa-2,5-dien-1-yl]-(2,5-dimethoxyphenyl)methanol (R)-(2,5-dimethoxyphenyl)-[(1S,4S)-4-(hydroxymethyl)-2,5-dimethoxy-4-(phenylmethyl)cyclohexa-2,5-dien-1-yl]methanol
Comments Less than 3 mono-isotopic peaks
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Formula C25H30O6
InChI InChI=1S/C25H30O6/c1-28-18-10-11-21(29-2)19(12-18)24(27)20-13-23(31-4)25(16-26,15-22(20)30-3)14-17-8-6-5-7-9-17/h5-13,15,20,24,26-27H,14,16H2,1-4H3/t20-,24+,25+/m1/s1
InChIKey MDAWCEKXFMTFMP-YNJKOYDBSA-N
Molecular Weight 426.509 g/mol
SMILES OC[C@]1(C(=C[C@@]([C@](c2c(ccc(c2)OC)OC)(O)[H])(C(=C1)OC)[H])OC)Cc1ccccc1
SPLASH splash10-03di-0090000000-e04584255c48e2a179ce
Source of Spectrum J-62-4649-30
Wiley ID 1379999