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5"-Methoxycarolignan C (E)-isomer
SpectraBase Compound ID FQm0CHRd6sm
InChI InChI=1S/C41H44O14/c1-48-32-19-25(8-13-29(32)42)10-16-38(45)53-18-6-7-27-21-35(51-4)41(36(22-27)52-5)55-37(40(47)28-12-15-31(44)34(23-28)50-3)24-54-39(46)17-11-26-9-14-30(43)33(20-26)49-2/h8-17,19-23,37,40,42-44,47H,6-7,18,24H2,1-5H3/b16-10+,17-11+
InChIKey BSLKCEWIHPETHH-OTYYAQKOSA-N
Mol Weight 760.8 g/mol
Molecular Formula C41H44O14
Exact Mass 760.273106 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7MSLlJmQdzP
Name 5"-Methoxycarolignan C (E)-isomer
Alternate Name(s) 5''-Methoxycarolignan C (E)-isomer
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C41H44O14
InChI InChI=1S/C41H44O14/c1-48-32-19-25(8-13-29(32)42)10-16-38(45)53-18-6-7-27-21-35(51-4)41(36(22-27)52-5)55-37(40(47)28-12-15-31(44)34(23-28)50-3)24-54-39(46)17-11-26-9-14-30(43)33(20-26)49-2/h8-17,19-23,37,40,42-44,47H,6-7,18,24H2,1-5H3/b16-10+,17-11+
InChIKey BSLKCEWIHPETHH-OTYYAQKOSA-N
Molecular Weight 760.789 g/mol
SMILES Oc1c(cc(C(C(COC(\C=C\c2ccc(c(c2)OC)O)=O)Oc2c(cc(cc2OC)CCCOC(\C=C\c2cc(OC)c(cc2)O)=O)OC)O)cc1)OC
SPLASH splash10-0006-0901000000-fc348e7258b9fadcf3a4
Source of Spectrum F-51-12455-6
Wiley ID 794266