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2H-1-Benzopyran-3,5,7-triol, 6-[[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, 6-[[2-(acetyloxy)phenyl]methyl]-2-[3,4-bis(acetyloxy)phenyl]-3,4-dihydro-, triacetate, (2R-trans)-
SpectraBase Compound ID Gr8BSqleOlN
InChI InChI=1S/C34H32O13/c1-17(35)41-27-10-8-7-9-23(27)13-25-29(43-19(3)37)16-30-26(34(25)46-22(6)40)15-32(45-21(5)39)33(47-30)24-11-12-28(42-18(2)36)31(14-24)44-20(4)38/h7-12,14,16,32-33H,13,15H2,1-6H3/t32-,33+/m0/s1
InChIKey LQQMEQVCAUFQGU-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 B26BGLm4ZWF
Name 2H-1-Benzopyran-3,5,7-triol, 6-[[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)16-30-26(34(25)46-22(6)40)15-32(45-21(5)39)33(47-30)24-11-12-28(42-18(2)36)31(14-24)44-20(4)38/h7-12,14,16,32-33H,13,15H2,1-6H3/t32-,33+/m0/s1
InChIKey LQQMEQVCAUFQGU-JHOUSYSJSA-N
Molecular Weight 648.617 g/mol
SMILES C12=C(C(CC=3C(OC(=O)C)=CC=CC3)=C(C=C1O[C@@]([C@](C2)(OC(=O)C)[H])(C=1C=C(OC(=O)C)C(=CC1)OC(=O)C)[H])OC(=O)C)OC(=O)C