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(2R,3S)-Trans-7,3',4'-trimethoxy-3-o-acetylflavan

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(2R,3S)-Trans-7,3',4'-trimethoxy-3-o-acetylflavan
SpectraBase Compound ID Dp4wKpCiZL7
InChI InChI=1S/C20H22O6/c1-12(21)25-19-9-13-5-7-15(22-2)11-17(13)26-20(19)14-6-8-16(23-3)18(10-14)24-4/h5-8,10-11,19-20H,9H2,1-4H3/t19-,20+/m0/s1
InChIKey JNHNULLTFNKCJB-VQTJNVASSA-N
Mol Weight 358.39 g/mol
Molecular Formula C20H22O6
Exact Mass 358.141638 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6g6PiRf2CWs
Name (2R,3S)-Trans-7,3',4'-trimethoxy-3-o-acetylflavan
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 358.141638422 u
Formula C20H22O6
InChI InChI=1S/C20H22O6/c1-12(21)25-19-9-13-5-7-15(22-2)11-17(13)26-20(19)14-6-8-16(23-3)18(10-14)24-4/h5-8,10-11,19-20H,9H2,1-4H3/t19-,20+/m0/s1
InChIKey JNHNULLTFNKCJB-VQTJNVASSA-N
Molecular Weight 358.390 g/mol
SMILES [C@]1(OC2=C(C[C@@]1(OC(=O)C)[H])C=CC(=C2)OC)(C=1C=C(OC)C(=CC1)OC)[H]