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TUHQVYBIAQYPTD-PHKRWQGZSA-N

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TUHQVYBIAQYPTD-PHKRWQGZSA-N
SpectraBase Compound ID F3og2z1oH0m
InChI InChI=1S/C36H44O13/c1-36(2)47-17-29(34(49-36)20-11-25(41-5)31(38)26(12-20)42-6)48-35-27(43-7)13-19(14-28(35)44-8)33-22-16-45-32(21(22)15-46-33)18-9-23(39-3)30(37)24(10-18)40-4/h9-14,21-22,29,32-34,37-38H,15-17H2,1-8H3/t21-,22-,29+,32+,33+,34+/m1/s1
InChIKey TUHQVYBIAQYPTD-PHKRWQGZSA-N
Mol Weight 684.7 g/mol
Molecular Formula C36H44O13
Exact Mass 684.278191 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID xs4SeqSKEv
Name TUHQVYBIAQYPTD-PHKRWQGZSA-N
Compound Number 15A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H44O13
InChI InChI=1S/C36H44O13/c1-36(2)47-17-29(34(49-36)20-11-25(41-5)31(38)26(12-20)42-6)48-35-27(43-7)13-19(14-28(35)44-8)33-22-16-45-32(21(22)15-46-33)18-9-23(39-3)30(37)24(10-18)40-4/h9-14,21-22,29,32-34,37-38H,15-17H2,1-8H3/t21-,22-,29+,32+,33+,34+/m1/s1
InChIKey TUHQVYBIAQYPTD-PHKRWQGZSA-N
Literature Reference Author L.XIONG,C.ZHU,Y.LI,Y.TIAN,S.LIN,S.YUAN,J.HU,Q.HOU,N.CHEN,Y.Y ANG,J.SHI
Literature Reference Citation J.NAT.PROD.,74,1188(2011)
Literature Reference DOI 10.1021/np200117y
Molecular Weight 684.738 g/mol
Sample ID 38257
Solvent ACETONE-D6