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PSEUROTIN_A

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PSEUROTIN_A
SpectraBase Compound ID 9bHioEKZr6g
InChI InChI=1S/C22H25NO8/c1-4-5-11-14(24)15(25)16-12(2)17(26)21(31-16)19(28)22(30-3,23-20(21)29)18(27)13-9-7-6-8-10-13/h5-11,14-15,19,24-25,28H,4H2,1-3H3,(H,23,29)/b11-5-/t14-,15-,19+,21+,22+/m0/s1
InChIKey SLYDIPAXCVVRNY-UOWMTANKSA-N
Mol Weight 431.44 g/mol
Molecular Formula C22H25NO8
Exact Mass 431.158017 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5mfywIXXc2b
Name PSEUROTIN_A
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H25NO8
InChI InChI=1S/C22H25NO8/c1-4-5-11-14(24)15(25)16-12(2)17(26)21(31-16)19(28)22(30-3,23-20(21)29)18(27)13-9-7-6-8-10-13/h5-11,14-15,19,24-25,28H,4H2,1-3H3,(H,23,29)/b11-5-/t14-,15-,19+,21+,22+/m0/s1
InChIKey SLYDIPAXCVVRNY-UOWMTANKSA-N
Literature Reference Author C.M.BOOT,N.C.GASSNER,J.E.COMPTON,K.TENNEY,C.M.TAMBLE,R.S.LOK EY,T.R.HOLMAN,P.CREW
Literature Reference Citation J.NAT.PROD.,70,1672(2007)
Literature Reference DOI 10.1021/np070307c
Molecular Weight 431.442 g/mol
Sample ID 31727
Solvent ACETONE-D6