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#8;ISOCORIGALIN;6,7,8,11,12,13,22,23-OCTAHYDROXY-3,16-DIOXO-2,17,20-TRIOXATETRACYCLO-[17.3.1.0(4,9).0(10,15)]-TRICOSA-4,6,8,10(15),11,13-HEXAEN-21-YL-3,4,5-TRI

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#8;ISOCORIGALIN;6,7,8,11,12,13,22,23-OCTAHYDROXY-3,16-DIOXO-2,17,20-TRIOXATETRACYCLO-[17.3.1.0(4,9).0(10,15)]-TRICOSA-4,6,8,10(15),11,13-HEXAEN-21-YL-3,4,5-TRI
SpectraBase Compound ID K0jFo6RuNTt
InChI InChI=1S/C27H22O18/c28-9-1-6(2-10(29)16(9)32)24(39)45-27-22(38)23-19(35)13(43-27)5-42-25(40)7-3-11(30)17(33)20(36)14(7)15-8(26(41)44-23)4-12(31)18(34)21(15)37/h1-4,13,19,22-23,27-38H,5H2/t13-,19-,22-,23+,27-/m1/s1
InChIKey TUSDEZXZIZRFGC-LNBIJUBGSA-N
Mol Weight 634.46 g/mol
Molecular Formula C27H22O18
Exact Mass 634.080614 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ay6ChyiZ6h
Name #8;ISOCORIGALIN;6,7,8,11,12,13,22,23-OCTAHYDROXY-3,16-DIOXO-2,17,20-TRIOXATETRACYCLO-[17.3.1.0(4,9).0(10,15)]-TRICOSA-4,6,8,10(15),11,13-HEXAEN-21-YL-3,4,5-TRI
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H22O18
InChI InChI=1S/C27H22O18/c28-9-1-6(2-10(29)16(9)32)24(39)45-27-22(38)23-19(35)13(43-27)5-42-25(40)7-3-11(30)17(33)20(36)14(7)15-8(26(41)44-23)4-12(31)18(34)21(15)37/h1-4,13,19,22-23,27-38H,5H2/t13-,19-,22-,23+,27-/m1/s1
InChIKey TUSDEZXZIZRFGC-LNBIJUBGSA-N
Literature Reference Author Y.ZHANG,D.L.DEWITT,S.MURUGESAN,M.G.NAIR
Literature Reference Citation CHEM.BIODIV.,1,426(2004)
Literature Reference DOI 10.1002/cbdv.200490036
Molecular Weight 634.461 g/mol
Solvent CD3OD
Source File Reference UWLU21638