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Molecule record

(E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic acid

C17H20O6

320.34 g/mol

Loading structure

Molecular properties

Formula
C17H20O6
Molar mass
320.34 g·mol−1
Exact mass
320.1260 Da
8
PubChem CID
446541

Functional groups

Alkane / alkyl carbon
Alkene
Aromatic ring
Carboxylic acid
Ester
Ether
Phenol

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • (4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoic acid
  • (E)-6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl)-4-methyl-4-hexenoic acid
  • 24280-93-1
  • 4-Hexenoic acid, 6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-, (4E)-
  • 4-Hexenoic acid, 6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-, (E)-
  • 4-Hexenoic acid, 6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl)-4-methyl-, (E)-
  • Acide mycophenolique
  • Acido micofenolico
Show all 24 synonyms
  • Acidum mycophenolicum
  • CHEBI:168396
  • DTXCID2021070
  • DTXSID4041070
  • HU9DX48N0T
  • L04AA06
  • Lilly-68618
  • Ly 68618
  • Melbex
  • Micofenolico acido
  • Mycophenolate, Sodium
  • Mycophenolsaeure
  • NSC-129185
  • NSC129185
  • RefChem:55678
  • mycophenolic acid

Structure identifiers

Canonical SMILES
COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)O)C(=O)OC2
Isomeric SMILES
CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)O)O
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
PubChem CID
446541

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic acid; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic acid; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record