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2',2''',4,4',4'',4'''-Hexakis(benzyloxy)-6',6'''-dihydroxy-3,3''-bichalcone
SpectraBase Compound ID AOHzsc0zwaN
InChI InChI=1S/C72H58O10/c73-63(71-65(75)41-59(77-45-53-19-7-1-8-20-53)43-69(71)81-49-57-27-15-5-16-28-57)35-31-51-33-37-67(79-47-55-23-11-3-12-24-55)61(39-51)62-40-52(34-38-68(62)80-48-56-25-13-4-14-26-56)32-36-64(74)72-66(76)42-60(78-46-54-21-9-2-10-22-54)44-70(72)82-50-58-29-17-6-18-30-58/h1-44,75-76H,45-50H2/b35-31+,36-32+
InChIKey BNAXXLVIWYHLPZ-QUTRQNJUSA-N
Mol Weight 1083.2 g/mol
Molecular Formula C72H58O10
Exact Mass 1082.402998 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 91k02ozRfRL
Name 2',2''',4,4',4'',4'''-Hexakis(benzyloxy)-6',6'''-dihydroxy-3,3''-bichalcone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C72H58O10
InChI InChI=1S/C72H58O10/c73-63(71-65(75)41-59(77-45-53-19-7-1-8-20-53)43-69(71)81-49-57-27-15-5-16-28-57)35-31-51-33-37-67(79-47-55-23-11-3-12-24-55)61(39-51)62-40-52(34-38-68(62)80-48-56-25-13-4-14-26-56)32-36-64(74)72-66(76)42-60(78-46-54-21-9-2-10-22-54)44-70(72)82-50-58-29-17-6-18-30-58/h1-44,75-76H,45-50H2/b35-31+,36-32+
InChIKey BNAXXLVIWYHLPZ-QUTRQNJUSA-N
Molecular Weight 1083.246 g/mol
SMILES Oc1cc(cc(c1C(\C=C\c1cc(-c2cc(\C=C\C(c3c(cc(cc3OCc3ccccc3)OCc3ccccc3)O)=O)ccc2OCc2ccccc2)c(cc1)OCc1ccccc1)=O)OCc1ccccc1)OCc1ccccc1
SPLASH splash10-0006-9200010000-e05f79c34333000ed9d0
Source of Spectrum F4-42-2784-42
Wiley ID 1673847