5-[(2E)-3,7-Dimethyl-5-oxo-2,6-octadien-1-yl]-2,3-dihydro-4-hydroxy-6-methoxy-2-(2-phenylethyl)-1H-isoindol-1-one

CAS Registry Number®

1416052-89-5
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CAS Name

5-[(2E)-3,7-Dimethyl-5-oxo-2,6-octadien-1-yl]-2,3-dihydro-4-hydroxy-6-methoxy-2-(2-phenylethyl)-1H-isoindol-1-one

Molecular Formula

C27H31NO4

Molecular Mass

433.54

Cite this Page

5-[(2E)-3,7-Dimethyl-5-oxo-2,6-octadien-1-yl]-2,3-dihydro-4-hydroxy-6-methoxy-2-(2-phenylethyl)-1H-isoindol-1-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=126654-53-3 (retrieved 2024-09-19) (CAS RN: 1416052-89-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    136-138 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C27H31NO4/c1-18(2)14-21(29)15-19(3)10-11-22-25(32-4)16-23-24(26(22)30)17-28(27(23)31)13-12-20-8-6-5-7-9-20/h5-10,14,16,30H,11-13,15,17H2,1-4H3/b19-10+

InChIKey

InChIKey=AAXHHISTDMILPL-VXLYETTFSA-N

SMILES

OC1=C2C(C(=O)N(CCC3=CC=CC=C3)C2)=CC(OC)=C1C/C=C(/CC(C=C(C)C)=O)\C

Canonical SMILES

O=C(C=C(C)C)CC(=CCC1=C(OC)C=C2C(=O)N(CC2=C1O)CCC=3C=CC=CC3)C

Other Names for this Substance

  • 1H-Isoindol-1-one, 5-[(2E)-3,7-dimethyl-5-oxo-2,6-octadien-1-yl]-2,3-dihydro-4-hydroxy-6-methoxy-2-(2-phenylethyl)-
  • 5-[(2E)-3,7-Dimethyl-5-oxo-2,6-octadien-1-yl]-2,3-dihydro-4-hydroxy-6-methoxy-2-(2-phenylethyl)-1H-isoindol-1-one
  • Isohericenone
  • 5′-Oxoisohericenin
  • Hericenone B

Deleted or Replaced CAS Registry Numbers

126654-53-3