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(1R,2R)-1,2-Di(hydroxy)-1-(3-[p-bromobenzoyloxy]-4-methoxyphenyl)-2-(3',4',5'-trimethoxy-phenyl)ethane

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

(1R,2R)-1,2-Di(hydroxy)-1-(3-[p-bromobenzoyloxy]-4-methoxyphenyl)-2-(3',4',5'-trimethoxy-phenyl)ethane
SpectraBase Compound ID 3corMMWihGL
InChI InChI=1S/C25H25BrO8/c1-30-18-10-7-15(11-19(18)34-25(29)14-5-8-17(26)9-6-14)22(27)23(28)16-12-20(31-2)24(33-4)21(13-16)32-3/h5-13,22-23,27-28H,1-4H3/t22-,23-/m1/s1
InChIKey FAOLRVAWEPYIJP-DHIUTWEWSA-N
Mol Weight 533.37 g/mol
Molecular Formula C25H25BrO8
Exact Mass 532.073281 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KCm1eoGpHo4
Name (1R,2R)-1,2-di(Hydroxy)-1-(3-[p-bromobenzoyloxy]-4-methoxyphenyl)-2-(3',4',5'-trimethoxy-phenyl)ethane
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 532.073280757 u
Formula C25H25BrO8
InChI InChI=1S/C25H25BrO8/c1-30-18-10-7-15(11-19(18)34-25(29)14-5-8-17(26)9-6-14)22(27)23(28)16-12-20(31-2)24(33-4)21(13-16)32-3/h5-13,22-23,27-28H,1-4H3/t22-,23-/m1/s1
InChIKey FAOLRVAWEPYIJP-DHIUTWEWSA-N
Molecular Weight 533.371 g/mol
SMILES C1([C@]([C@@](C=2C=C(OC(C3=CC=C(C=C3)Br)=O)C(=CC2)OC)(O)[H])(O)[H])=CC(OC)=C(C(=C1)OC)OC