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QINDRTXJWQGUND-HUMRBQTFSA-N

View entire compound with spectra: 1 NMR

QINDRTXJWQGUND-HUMRBQTFSA-N
SpectraBase Compound ID KHp13nMu1B0
InChI InChI=1S/C52H64O26/c1-25(53)66-19-15-17-35-22-39(64-12)44(78-52-50(74-33(9)61)48(72-31(7)59)46(70-29(5)57)41(76-52)24-68-27(3)55)42(65-13)36(35)18-14-16-34-20-37(62-10)43(38(21-34)63-11)77-51-49(73-32(8)60)47(71-30(6)58)45(69-28(4)56)40(75-51)23-67-26(2)54/h14-17,20-22,40-41,45-52H,18-19,23-24H2,1-13H3/b16-14+,17-15+/t40-,41-,45-,46-,47+,48+,49-,50-,51+,52+/m1/s1
InChIKey QINDRTXJWQGUND-HUMRBQTFSA-N
Mol Weight 1105.1 g/mol
Molecular Formula C52H64O26
Exact Mass 1104.368582 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BNsXXBBgePJ
Name QINDRTXJWQGUND-HUMRBQTFSA-N
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H64O26
InChI InChI=1S/C52H64O26/c1-25(53)66-19-15-17-35-22-39(64-12)44(78-52-50(74-33(9)61)48(72-31(7)59)46(70-29(5)57)41(76-52)24-68-27(3)55)42(65-13)36(35)18-14-16-34-20-37(62-10)43(38(21-34)63-11)77-51-49(73-32(8)60)47(71-30(6)58)45(69-28(4)56)40(75-51)23-67-26(2)54/h14-17,20-22,40-41,45-52H,18-19,23-24H2,1-13H3/b16-14+,17-15+/t40-,41-,45-,46-,47+,48+,49-,50-,51+,52+/m1/s1
InChIKey QINDRTXJWQGUND-HUMRBQTFSA-N
Literature Reference Author M.YUDA,K.OHTANI,K.MIZUTANI,R.KASAI,O.TANAKA,M.R.JIA,Y.R.LING ,X.F.PU,Y.I.SARUWAT
Literature Reference Citation PHYTOCHEM.,29,1989(1990)
Literature Reference DOI 10.1016/0031-9422(90)85053-I
Molecular Weight 1105.065 g/mol
Solvent CDCl3
Source File Reference UWLU32254