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PERACETYL-1-L-1-O-METHYL-3-PARA-COUMARYL-MYO-INOSITOL
SpectraBase Compound ID I23mjzSFmGr
InChI InChI=1S/C26H30O13/c1-13(27)34-19-10-7-18(8-11-19)9-12-20(32)39-26-23(36-15(3)29)21(33-6)22(35-14(2)28)24(37-16(4)30)25(26)38-17(5)31/h7-12,21-26H,1-6H3/b12-9+/t21-,22-,23-,24+,25-,26-/m0/s1
InChIKey GCXHWRITECTNTE-VVBZQGLDSA-N
Mol Weight 550.51 g/mol
Molecular Formula C26H30O13
Exact Mass 550.168641 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4VwmTebnW1T
Name PERACETYL-1-L-1-O-METHYL-3-PARA-COUMARYL-MYO-INOSITOL
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H30O13
InChI InChI=1S/C26H30O13/c1-13(27)34-19-10-7-18(8-11-19)9-12-20(32)39-26-23(36-15(3)29)21(33-6)22(35-14(2)28)24(37-16(4)30)25(26)38-17(5)31/h7-12,21-26H,1-6H3/b12-9+/t21-,22-,23-,24+,25-,26-/m0/s1
InChIKey GCXHWRITECTNTE-VVBZQGLDSA-N
Literature Reference Author R.MATA,J.L.CONTRERAS,D.CRISANTO,R.PEREDA-MIRANDA,P.CASTANEDA ,F.DELRIO
Literature Reference Citation J.NAT.PROD.,54,913(1991)
Literature Reference DOI 10.1021/np50075a033
Molecular Weight 550.516 g/mol
Solvent CDCl3
Source File Reference UWCS5426