Methyl (4E)-6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-4-hexenoate

CAS Registry Number®

31858-66-9

CAS Name

Methyl (4E)-6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-4-hexenoate

Molecular Formula

C18H22O6

Molecular Mass

334.36

Cite this Page

Methyl (4E)-6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-4-hexenoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=31858-66-9 (retrieved 2024-11-26) (CAS RN: 31858-66-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    104 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C18H22O6/c1-10(6-8-14(19)22-3)5-7-12-16(20)15-13(9-24-18(15)21)11(2)17(12)23-4/h5,20H,6-9H2,1-4H3/b10-5+

InChIKey

InChIKey=ZPXRQFLATDNYSS-BJMVGYQFSA-N

SMILES

CC1=C2C(=C(O)C(C/C=C(/CCC(OC)=O)\C)=C1OC)C(=O)OC2

Canonical SMILES

O=C1OCC2=C1C(O)=C(C(OC)=C2C)CC=C(C)CCC(=O)OC

Other Names for this Substance

  • 4-Hexenoic acid, 6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-, methyl ester, (4E)-
  • 4-Hexenoic acid, 6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-, methyl ester, (E)-
  • 4-Hexenoic acid, 6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl)-4-methyl-, methyl ester, (E)-
  • Methyl (4E)-6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-4-hexenoate
  • Methyl mycophenolate

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