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5,7-Dibenzyloxy-3-[3-methoxy-4,6-bis(benzyloxy)-5-iodophenyl]isoflavone
SpectraBase Compound ID ILJWX435yR0
InChI InChI=1S/C44H35IO7/c1-47-39-24-35(43(51-27-32-18-10-4-11-19-32)41(45)44(39)52-28-33-20-12-5-13-21-33)36-29-50-38-23-34(48-25-30-14-6-2-7-15-30)22-37(40(38)42(36)46)49-26-31-16-8-3-9-17-31/h2-24,29H,25-28H2,1H3
InChIKey AQKISRWXXJRCBS-UHFFFAOYSA-N
Mol Weight 802.7 g/mol
Molecular Formula C44H35IO7
Exact Mass 802.142748 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GE19xT96Cgw
Name 5,7-Dibenzyloxy-3-[3-methoxy-4,6-bis(benzyloxy)-5-iodophenyl]isoflavone
Alternate Name(s) 3-(3-Methoxy-4,6-dibenzyloxy-5-iodophenyl)-5,7-dibenzyloxy-4H-1-benzopyran-4-one 5,7-bis(benzyloxy)-3-[2,4-bis(benzyloxy)-3-iodo-5-methoxyphenyl]-4H-chromen-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H35IO7
InChI InChI=1S/C44H35IO7/c1-47-39-24-35(43(51-27-32-18-10-4-11-19-32)41(45)44(39)52-28-33-20-12-5-13-21-33)36-29-50-38-23-34(48-25-30-14-6-2-7-15-30)22-37(40(38)42(36)46)49-26-31-16-8-3-9-17-31/h2-24,29H,25-28H2,1H3
InChIKey AQKISRWXXJRCBS-UHFFFAOYSA-N
Molecular Weight 802.661 g/mol
SMILES C=1(C(c2c(cc(cc2OC1)OCc1ccccc1)OCc1ccccc1)=O)c1c(c(I)c(c(c1)OC)OCc1ccccc1)OCc1ccccc1
SPLASH splash10-0a4o-8901100100-d8691445cef7824c6816
Source of Spectrum CV-2002-2495-3
Wiley ID 1610522