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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

Compound with spectra: 2 NMR, 3 MS (GC), and 2 MS (LC)

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

View Spectrum of MYCOPHENOLIC-ACID;(E)-6-(4-HYDROXY-6-METHOXY-7-METHYL-3-OXO-1,3-DIHYDROISOBENZOFURAN-5-YL)-4-METHYLHEX-4-ENOATE

MS (GC) Spectrum
Copyright Copyright © 2023-2025 Wiley-VCH GmbH. All Rights Reserved.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS

View Spectrum of MYCOPHENOLIC-ACID;(E)-6-(4-HYDROXY-6-METHOXY-7-METHYL-3-OXO-1,3-DIHYDROISOBENZOFURAN-5-YL)-4-METHYLHEX-4-ENOATE

MS (GC) Spectrum
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum IC-923-0-0

View Spectrum of MYCOPHENOLIC-ACID;(E)-6-(4-HYDROXY-6-METHOXY-7-METHYL-3-OXO-1,3-DIHYDROISOBENZOFURAN-5-YL)-4-METHYLHEX-4-ENOATE

MS (GC) Spectrum
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum F-37-2133-0

View Spectrum of MYCOPHENOLIC-ACID;(E)-6-(4-HYDROXY-6-METHOXY-7-METHYL-3-OXO-1,3-DIHYDROISOBENZOFURAN-5-YL)-4-METHYLHEX-4-ENOATE

MS (LC) Spectrum
Copyright Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved.
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Technique ITMS

View Spectrum of MYCOPHENOLIC-ACID;(E)-6-(4-HYDROXY-6-METHOXY-7-METHYL-3-OXO-1,3-DIHYDROISOBENZOFURAN-5-YL)-4-METHYLHEX-4-ENOATE

MS (LC) Spectrum
Copyright Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved.
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Technique ITMS

View Spectrum of MYCOPHENOLIC-ACID;(E)-6-(4-HYDROXY-6-METHOXY-7-METHYL-3-OXO-1,3-DIHYDROISOBENZOFURAN-5-YL)-4-METHYLHEX-4-ENOATE

13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CDCl3

View Spectrum of MYCOPHENOLIC-ACID;(E)-6-(4-HYDROXY-6-METHOXY-7-METHYL-3-OXO-1,3-DIHYDROISOBENZOFURAN-5-YL)-4-METHYLHEX-4-ENOATE

13C NMR Spectrum
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
  • Mycophenolic acid
  • (E)-6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-4-hexenoic acid
  • Mycophenolic acid MS2
  • Mycophenolic acid-M/artifact (glucuronide +NH4) MS3_1
  • Melbex
  • Myfortic
  • Mycophenolsaeure
  • Acido micofenolico
  • Micofenolico acido
  • Acide mycophenolique
  • Acidum mycophenolicum
  • 6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl)-4-methyl-4-hexenoic acid (E)-
  • 4-Methyl-5-methoxy-7-hydroxy-6-(5-carboxy-3-methylpent-2-en-1-yl)-phthalide (E)-
  • (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic acid
  • (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-4-hexenoic acid
  • (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-hex-4-enoic acid
  • (E)-6-(6-methoxy-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)-4-methyl-hex-4-enoic acid
  • 4-Hexenoic acid, 6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-, (4E)-
  • (E)-6-(4-hydroxy-3-keto-6-methoxy-7-methyl-phthalan-5-yl)-4-methyl-hex-4-enoic acid
  • (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl)-4-methyl-4-hexenoic acid
  • 6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl)-4-methyl-4-hexenoic acid
  • 6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-5-phthanlanyl)-4-methyl-4-hexanoic acid
  • 6-(1,3-Dihydro-7-hydroxy-5-methoxy-4-methyl-1-oxoisobenzofuran-6-yl)-4-methyl-4-hexanoic acid
  • CCRIS 5565
  • LILLY-68618
  • EINECS 246-119-3
  • LY 68618
METHYL-(E)-6-(4-HYDROXY-6-METHOXY-7-METHYL-3-OXO-1,3-DIHYDROISOBENZOFURAN-5-YL)-4-METHYLHEX-4-ENOATE
Mycophenoxylate
5-Methoxy-4-methyl-6-[(E)-3-methyl-6-oxidanyl-hex-2-enyl]-7-oxidanyl-3H-2-benzofuran-1-one
Mycophenolic acid iv
Mycophenolic acid MS3_1
6-Allyl-5,7-dimethoxy-4-methyl-3H-isobenzofuran-1-one
6-(3-CARBOXYBUTYL)-7-HYDROXY-5-METHOXY-4-METHYLPHTHALAN-1-ONE
2-Geranyl-6-formyl-4-methoxycarbonyl-5-pivaloyloxymethyl resoricinol
Methyl 3-bromo-5-[(E)-3,7-dimethyl-2,6-octadienyl]-4,6-dimethoxy-2-methylbenzoate
3-[(2Z)-3,7-Dimethylocta-2,6-dienyl]-2,4-dihydroxy-6-(2-phenylethyl)benzoic acid, 3me derivative
Title Journal or Book Year
Total Synthesis of Mycophenolic Acid by a Palladium-Catalyzed Decarboxylative Allylation and Biomimetic Aromatization Sequence European Journal of Organic Chemistry 2013

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