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(-)-(2R,3R)-2-(3',4'-Methylenedioxybenzyl)-3-(3",4"-dimethoxybenzyl)butanediol

View entire compound with spectra: 1 MS (GC)

(-)-(2R,3R)-2-(3',4'-Methylenedioxybenzyl)-3-(3",4"-dimethoxybenzyl)butanediol
SpectraBase Compound ID 3AQKt3zwGLO
InChI InChI=1S/C21H26O6/c1-24-18-5-3-14(9-20(18)25-2)7-16(11-22)17(12-23)8-15-4-6-19-21(10-15)27-13-26-19/h3-6,9-10,16-17,22-23H,7-8,11-13H2,1-2H3/t16-,17-/m0/s1
InChIKey NRCFNUXLFQWEKJ-IRXDYDNUSA-N
Mol Weight 374.43 g/mol
Molecular Formula C21H26O6
Exact Mass 374.172939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IIObWCqOkNP
Name (-)-(2R,3R)-2-(3',4'-Methylenedioxybenzyl)-3-(3",4"-dimethoxybenzyl)butanediol
Alternate Name(s) (-)-(2R,3R)-2-(3',4'-Methylenedioxybenzyl)-3-(3'',4''-dimethoxybenzyl)butanediol (2R,3R)-2-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethoxybenzyl)-1,4-butanediol
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Formula C21H26O6
InChI InChI=1S/C21H26O6/c1-24-18-5-3-14(9-20(18)25-2)7-16(11-22)17(12-23)8-15-4-6-19-21(10-15)27-13-26-19/h3-6,9-10,16-17,22-23H,7-8,11-13H2,1-2H3/t16-,17-/m0/s1
InChIKey NRCFNUXLFQWEKJ-IRXDYDNUSA-N
Molecular Weight 374.433 g/mol
SMILES OC[C@@]([C@](CO)(Cc1cc2c(OCO2)cc1)[H])(Cc1cc(OC)c(cc1)OC)[H]
SPLASH splash10-0pbi-0509000000-52597f28c41a8a5b5eac
Source of Spectrum KC-0-2636-5
Wiley ID 779925