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2H-1-Benzopyran-3,5,7-triol, 8-[[2-(acetyloxy)phenyl]methyl]-2-[3,4-bis(acetyloxy)phenyl]-3,4-dihydro-, triacetate, (2R-trans)-

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

2H-1-Benzopyran-3,5,7-triol, 8-[[2-(acetyloxy)phenyl]methyl]-2-[3,4-bis(acetyloxy)phenyl]-3,4-dihydro-, triacetate, (2R-trans)-
SpectraBase Compound ID FTEc68wTFx
InChI InChI=1S/C34H32O13/c1-17(35)41-27-10-8-7-9-23(27)13-25-29(43-19(3)37)16-30(44-20(4)38)26-15-32(46-22(6)40)33(47-34(25)26)24-11-12-28(42-18(2)36)31(14-24)45-21(5)39/h7-12,14,16,32-33H,13,15H2,1-6H3/t32-,33+/m0/s1
InChIKey REWOWRLZEKSJIK-JHOUSYSJSA-N
Mol Weight 648.6 g/mol
Molecular Formula C34H32O13
Exact Mass 648.184291 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Aj4YBYBaytI
Name 2H-1-Benzopyran-3,5,7-triol, 8-[[2-(acetyloxy)phenyl]methyl]-2-[3,4-bis(acetyloxy)phenyl]-3,4-dihydro-, triacetate, (2R-trans)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 648.184291077 u
Formula C34H32O13
InChI InChI=1S/C34H32O13/c1-17(35)41-27-10-8-7-9-23(27)13-25-29(43-19(3)37)16-30(44-20(4)38)26-15-32(46-22(6)40)33(47-34(25)26)24-11-12-28(42-18(2)36)31(14-24)45-21(5)39/h7-12,14,16,32-33H,13,15H2,1-6H3/t32-,33+/m0/s1
InChIKey REWOWRLZEKSJIK-JHOUSYSJSA-N
Molecular Weight 648.617 g/mol
SMILES C1=2C(=C(OC(=O)C)C=C(C2CC=2C(OC(=O)C)=CC=CC2)OC(=O)C)C[C@@]([C@](O1)(C=1C=C(OC(=O)C)C(=CC1)OC(=O)C)[H])(OC(=O)C)[H]