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MYCOPHENOLIC-ACID;(E)-6-(4-HYDROXY-6-METHOXY-7-METHYL-3-OXO-1,3-DIHYDROISOBENZOFURAN-5-YL)-4-METHYLHEX-4-ENOATE
SpectraBase Compound ID 2FA4V2wLndH
InChI InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+
InChIKey HPNSFSBZBAHARI-RUDMXATFSA-N
Mol Weight 320.34 g/mol
Molecular Formula C17H20O6
Exact Mass 320.125988 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DVABEKR0rdB
Name MYCOPHENOLIC-ACID;(E)-6-(4-HYDROXY-6-METHOXY-7-METHYL-3-OXO-1,3-DIHYDROISOBENZOFURAN-5-YL)-4-METHYLHEX-4-ENOATE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H20O6
InChI InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+
InChIKey HPNSFSBZBAHARI-RUDMXATFSA-N
Literature Reference Author P.A.BROOKES,J.CORDES,A.J.P.WHITE,A.G.M.BARRETT
Literature Reference Citation EUR.J.ORG.CHEM.,2013,7313(2013)
Literature Reference DOI 10.1002/ejoc.201300974
Molecular Weight 320.342 g/mol
Solvent CDCl3
Source File Reference UWBT20334