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2,3-trans-3,4-cis-4,5,7,3',4'-Pentakis(benzyloxy)flavan-3-ol
SpectraBase Compound ID 4JNTcULwdK7
InChI InChI=1S/C50H44O7/c51-48-49(41-26-27-43(53-32-37-18-8-2-9-19-37)44(28-41)54-33-38-20-10-3-11-21-38)57-46-30-42(52-31-36-16-6-1-7-17-36)29-45(55-34-39-22-12-4-13-23-39)47(46)50(48)56-35-40-24-14-5-15-25-40/h1-30,48-51H,31-35H2/t48-,49-,50+/m1/s1
InChIKey CIILBQDRSYDEBS-JYAKJWHXSA-N
Mol Weight 756.9 g/mol
Molecular Formula C50H44O7
Exact Mass 756.308704 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7GsK1oKzvIa
Name 2,3-trans-3,4-cis-4,5,7,3',4'-Pentakis(benzyloxy)flavan-3-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C50H44O7
InChI InChI=1S/C50H44O7/c51-48-49(41-26-27-43(53-32-37-18-8-2-9-19-37)44(28-41)54-33-38-20-10-3-11-21-38)57-46-30-42(52-31-36-16-6-1-7-17-36)29-45(55-34-39-22-12-4-13-23-39)47(46)50(48)56-35-40-24-14-5-15-25-40/h1-30,48-51H,31-35H2/t48-,49-,50+/m1/s1
InChIKey CIILBQDRSYDEBS-JYAKJWHXSA-N
Molecular Weight 756.895 g/mol
SMILES O[C@]1([C@](c2c(O[C@@]1(c1cc(OCc3ccccc3)c(cc1)OCc1ccccc1)[H])cc(cc2OCc1ccccc1)OCc1ccccc1)(OCc1ccccc1)[H])[H]
SPLASH splash10-0a4i-0921022400-89c5bc2e0fa670b6451d
Source of Spectrum U1-2010-2551-11
Wiley ID 1663702