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(R)-MTPA-TETRAESTER-IRIDANE
SpectraBase Compound ID Cm6efPEdYoK
InChI InChI=1S/C50H48F12O12/c1-30-26-37(74-42(66)46(70-5,50(60,61)62)35-24-16-9-17-25-35)38(36(30)29-73-41(65)45(69-4,49(57,58)59)34-22-14-8-15-23-34)31(27-71-39(63)43(67-2,47(51,52)53)32-18-10-6-11-19-32)28-72-40(64)44(68-3,48(54,55)56)33-20-12-7-13-21-33/h6-25,30-31,36-38H,26-29H2,1-5H3/t30-,36+,37+,38-,43-,44-,45-,46+/m0/s1
InChIKey XTGADIKTVILUAB-DKRCBQADSA-N
Mol Weight 1068.9 g/mol
Molecular Formula C50H48F12O12
Exact Mass 1068.295415 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LXBgoMSUAMV
Name (R)-MTPA-TETRAESTER-IRIDANE
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H48F12O12
InChI InChI=1S/C50H48F12O12/c1-30-26-37(74-42(66)46(70-5,50(60,61)62)35-24-16-9-17-25-35)38(36(30)29-73-41(65)45(69-4,49(57,58)59)34-22-14-8-15-23-34)31(27-71-39(63)43(67-2,47(51,52)53)32-18-10-6-11-19-32)28-72-40(64)44(68-3,48(54,55)56)33-20-12-7-13-21-33/h6-25,30-31,36-38H,26-29H2,1-5H3/t30-,36+,37+,38-,43-,44-,45-,46+/m0/s1
InChIKey XTGADIKTVILUAB-DKRCBQADSA-N
Literature Reference Author F.R.GALLO,G.PALAZZINO,E.FEDERICI,R.IURILLI,F.D.MONACHE,K.CHI FUNDERA,C.GALEFFI
Literature Reference Citation PHYTOCHEM.,67,504(2006)
Literature Reference DOI 10.1016/j.phytochem.2005.11.007
Molecular Weight 1068.905 g/mol
Sample ID 66107
Solvent Unknown