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(3R,4R)-3,4-Bis(4-hydroxy-3-methoxybenzoyl)tetrahydrofuran
SpectraBase Compound ID 4bdUblPvzM8
InChI InChI=1S/C20H20O7/c1-25-17-7-11(3-5-15(17)21)19(23)13-9-27-10-14(13)20(24)12-4-6-16(22)18(8-12)26-2/h3-8,13-14,21-22H,9-10H2,1-2H3/t13-,14-/m0/s1
InChIKey RPZBSGCPIMMSDJ-KBPBESRZSA-N
Mol Weight 372.37 g/mol
Molecular Formula C20H20O7
Exact Mass 372.120903 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 58p32B6tRLd
Name (3R,4R)-3,4-Bis(4-hydroxy-3-methoxybenzoyl)tetrahydrofuran
Appearance Colorless crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20O7
InChI InChI=1S/C20H20O7/c1-25-17-7-11(3-5-15(17)21)19(23)13-9-27-10-14(13)20(24)12-4-6-16(22)18(8-12)26-2/h3-8,13-14,21-22H,9-10H2,1-2H3/t13-,14-/m0/s1
InChIKey RPZBSGCPIMMSDJ-KBPBESRZSA-N
Ionization Type EI
Literature Reference DOI 10.1021/np050089s
Molecular Weight 372.373 g/mol
Optical Rotation [aD20 = +69 (c = 0.4, C5H5N)
Reported Formula C20H20O7
SMILES Oc1c(cc(C([C@@]2([C@@](C(c3ccc(c(c3)OC)O)=O)(COC2)[H])[H])=O)cc1)OC
SPLASH splash10-0udi-0900000000-1f9a902a8122984ff23f
Source of Spectrum G4-68-1467-9
Wiley ID 1879475