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Justiciresinol
SpectraBase Compound ID FkM1rclhsTN
InChI InChI=1S/C21H26O7/c1-25-17-9-13(4-5-16(17)23)21-15(10-22)14(11-28-21)6-12-7-18(26-2)20(24)19(8-12)27-3/h4-5,7-9,14-15,21-24H,6,10-11H2,1-3H3/t14-,15-,21+/m0/s1
InChIKey LNRXVGSOOWBFAI-VFCRVFHLSA-N
Mol Weight 390.43 g/mol
Molecular Formula C21H26O7
Exact Mass 390.167853 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1T7roy0LxY
Name Justiciresinol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O7
InChI InChI=1S/C21H26O7/c1-25-17-9-13(4-5-16(17)23)21-15(10-22)14(11-28-21)6-12-7-18(26-2)20(24)19(8-12)27-3/h4-5,7-9,14-15,21-24H,6,10-11H2,1-3H3/t14-,15-,21+/m0/s1
InChIKey LNRXVGSOOWBFAI-VFCRVFHLSA-N
Molecular Weight 390.432 g/mol
SMILES OC[C@]1([C@](CO[C@@]1(c1cc(c(cc1)O)OC)[H])(Cc1cc(c(c(c1)OC)O)OC)[H])[H]
SPLASH splash10-0006-0906000000-d184dee5522dd65e2e27
Source of Spectrum X2-54-1641-1
Synonyms 4-[[(3R,4R,5S)-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)-3-oxolanyl]methyl]-2,6-dimethoxyphenol 4-[[(3R,4R,5S)-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methyl]-2,6-dimethoxyphenol 4-[[(3R,4R,5S)-5-(4-hydroxy-3-methoxy-phenyl)-4-(hydroxymethyl)tetrahydrofuran-3-yl]methyl]-2,6-dimethoxy-phenol 4-[[(3R,4R,5S)-4-(hydroxymethyl)-5-(3-methoxy-4-oxidanyl-phenyl)oxolan-3-yl]methyl]-2,6-dimethoxy-phenol
Wiley ID 1604271