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#2B;12-VINYL-DODECANEDIOATE-23-O-SILYBIN-B;1-[[3-(4-HYDROXY-3-METHOXYPHENYL)-6-(3,5,7-TRIHYDROXY-4-OXOCHROMAN-2-YL)-2,3-DIHYDROBENZO-[B]-[1,4]-DIOXIN-2-
SpectraBase Compound ID RyIaKpCM5o
InChI InChI=1S/2C39H44O13/c2*1-3-48-33(43)12-10-8-6-4-5-7-9-11-13-34(44)49-22-32-38(23-14-16-26(41)29(18-23)47-2)51-30-19-24(15-17-28(30)50-32)39-37(46)36(45)35-27(42)20-25(40)21-31(35)52-39/h2*3,14-21,32,37-42,46H,1,4-13,22H2,2H3/t2*32-,37-,38-,39+/m00/s1
InChIKey DWDIVIDUXHWZMD-ZDFLEYKASA-N
Mol Weight 1441.5 g/mol
Molecular Formula C78H88O26
Exact Mass 1440.556383 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 20wPwJDNN0b
Name #2B;12-VINYL-DODECANEDIOATE-23-O-SILYBIN-B;1-[[3-(4-HYDROXY-3-METHOXYPHENYL)-6-(3,5,7-TRIHYDROXY-4-OXOCHROMAN-2-YL)-2,3-DIHYDROBENZO-[B]-[1,4]-DIOXIN-2-
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C78H88O26
InChI InChI=1S/2C39H44O13/c2*1-3-48-33(43)12-10-8-6-4-5-7-9-11-13-34(44)49-22-32-38(23-14-16-26(41)29(18-23)47-2)51-30-19-24(15-17-28(30)50-32)39-37(46)36(45)35-27(42)20-25(40)21-31(35)52-39/h2*3,14-21,32,37-42,46H,1,4-13,22H2,2H3/t2*32-,37-,38-,39+/m00/s1
InChIKey DWDIVIDUXHWZMD-ZDFLEYKASA-N
Literature Reference Author E.VAVRIKOVA,J.VACEK,K.VALENTOVA,P.MARHOL,J.ULRICHIVA,M.KUZMA ,V.KREN
Literature Reference Citation MOLECULES,19,4115(2014)
Literature Reference DOI 10.3390/molecules19044115
Molecular Weight 1441.541 g/mol
Solvent DMSO-D6
Source File Reference UWBT14620