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6-ANGELOYL-2,3-DIMETHYLBUTANOYL-MYOINOSITOL
SpectraBase Compound ID 7f24eWU3aEl
InChI InChI=1S/C21H34O9/c1-7-12(6)21(27)30-18-15(24)16(25)19(28-13(22)8-10(2)3)20(17(18)26)29-14(23)9-11(4)5/h7,10-11,15-20,24-26H,8-9H2,1-6H3/b12-7+/t15-,16-,17-,18+,19+,20-/m1/s1
InChIKey MSVSVELZFRCZBG-XUUZKOKTSA-N
Mol Weight 430.5 g/mol
Molecular Formula C21H34O9
Exact Mass 430.220283 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KTKXd3LTOCY
Name 6-ANGELOYL-2,3-DIMETHYLBUTANOYL-MYOINOSITOL
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H34O9
InChI InChI=1S/C21H34O9/c1-7-12(6)21(27)30-18-15(24)16(25)19(28-13(22)8-10(2)3)20(17(18)26)29-14(23)9-11(4)5/h7,10-11,15-20,24-26H,8-9H2,1-6H3/b12-7+/t15-,16-,17-,18+,19+,20-/m1/s1
InChIKey MSVSVELZFRCZBG-XUUZKOKTSA-N
Literature Reference Author O.SPRING,R.ZIPPER,S.REEB,B.VOGLER,F.B.D.COSTA
Literature Reference Citation PHYTOCHEM.,57,267(2001)
Literature Reference DOI 10.1016/S0031-9422(01)00019-X
Molecular Weight 430.496 g/mol
Solvent CDCl3
Source File Reference UWVN2156