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EUPASIMPLICIN-A

View entire compound with spectra: 1 NMR

EUPASIMPLICIN-A
SpectraBase Compound ID 7pi1GEHxLr0
InChI InChI=1S/C22H28O7/c1-6-16(11-23)22(26)29-18-9-12(2)7-8-17(27-15(5)24)13(3)10-19-20(18)14(4)21(25)28-19/h6-7,10,17-20,23H,4,8-9,11H2,1-3,5H3/b12-7+,13-10-,16-6+/t17-,18-,19-,20-/m1/s1
InChIKey OEDXUXSUBLVBSY-KHEIXXRCSA-N
Mol Weight 404.46 g/mol
Molecular Formula C22H28O7
Exact Mass 404.183503 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3gqfoJDUPau
Name EUPASIMPLICIN-A
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H28O7
InChI InChI=1S/C22H28O7/c1-6-16(11-23)22(26)29-18-9-12(2)7-8-17(27-15(5)24)13(3)10-19-20(18)14(4)21(25)28-19/h6-7,10,17-20,23H,4,8-9,11H2,1-3,5H3/b12-7+,13-10-,16-6+/t17-,18-,19-,20-/m1/s1
InChIKey OEDXUXSUBLVBSY-KHEIXXRCSA-N
Literature Reference Author M.TORI,N.MORISHITA,N.HIROTA,Y.SAITO,K.NAKASHIMA,M.SONO,M.TAN AKA,A.UTAGAWA
Literature Reference Citation CHEM.PHARM.BULL.,56,677(2008)
Literature Reference DOI 10.1248/cpb.56.677
Molecular Weight 404.460 g/mol
Sample ID 1707
Solvent CDCl3