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2,3-Trans-5,7,3',4',5'-pentakis(benzyloxy)flavan-3-ol

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

2,3-Trans-5,7,3',4',5'-pentakis(benzyloxy)flavan-3-ol
SpectraBase Compound ID FSpSEygTV8M
InChI InChI=1S/C50H44O7/c51-44-30-43-45(53-32-37-18-8-2-9-19-37)28-42(52-31-36-16-6-1-7-17-36)29-46(43)57-49(44)41-26-47(54-33-38-20-10-3-11-21-38)50(56-35-40-24-14-5-15-25-40)48(27-41)55-34-39-22-12-4-13-23-39/h1-29,44,49,51H,30-35H2/t44-,49+/m0/s1
InChIKey GKTZINGANAELDT-AFRCBTSSSA-N
Mol Weight 756.9 g/mol
Molecular Formula C50H44O7
Exact Mass 756.308704 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GcI0QVuSA6A
Name 2,3-Trans-5,7,3',4',5'-pentakis(benzyloxy)flavan-3-ol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 756.308703750 u
Formula C50H44O7
InChI InChI=1S/C50H44O7/c51-44-30-43-45(53-32-37-18-8-2-9-19-37)28-42(52-31-36-16-6-1-7-17-36)29-46(43)57-49(44)41-26-47(54-33-38-20-10-3-11-21-38)50(56-35-40-24-14-5-15-25-40)48(27-41)55-34-39-22-12-4-13-23-39/h1-29,44,49,51H,30-35H2/t44-,49+/m0/s1
InChIKey GKTZINGANAELDT-AFRCBTSSSA-N
Molecular Weight 756.895 g/mol
SMILES C=12O[C@@]([C@](CC2=C(OCC=2C=CC=CC2)C=C(C1)OCC=1C=CC=CC1)(O)[H])(C1=CC(OCC2=CC=CC=C2)=C(C(=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1)[H]