(3S,4E)-6-(1,3-Dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-3-hydroxy-4-methyl-4-hexenoic acid

CAS Registry Number®

126840-53-7

CAS Name

(3S,4E)-6-(1,3-Dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-3-hydroxy-4-methyl-4-hexenoic acid

Molecular Formula

C17H20O7

Molecular Mass

336.34

Cite this Page

(3S,4E)-6-(1,3-Dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-3-hydroxy-4-methyl-4-hexenoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=126840-53-7 (retrieved 2024-11-08) (CAS RN: 126840-53-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C17H20O7/c1-8(12(18)6-13(19)20)4-5-10-15(21)14-11(7-24-17(14)22)9(2)16(10)23-3/h4,12,18,21H,5-7H2,1-3H3,(H,19,20)/b8-4+/t12-/m0/s1

InChIKey

InChIKey=OGJCZLOIKMTMKF-GXWOQWCDSA-N

SMILES

OC1=C2C(=C(C)C(OC)=C1C/C=C(/[C@H](CC(O)=O)O)\C)COC2=O

Canonical SMILES

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

Other Names for this Substance

  • 4-Hexenoic acid, 6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-3-hydroxy-4-methyl-, (3S,4E)-
  • (3S,4E)-6-(1,3-Dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-3-hydroxy-4-methyl-4-hexenoic acid
  • Phthalexin
  • 6-(5-Carboxy-4-hydroxy-3-methylpent-2-enyl)-7-hydroxy-5-methoxy-4-methylphthalan-1-one
  • 4′-Hydroxymycophenolic acid

CAS INSIGHTSTM
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