2-[[3-Benzoyl-2,6-dihydroxy-4-[(3-methyl-2-buten-1-yl)oxy]phenyl]methyl]-3,5-dihydroxy-4,4-dimethyl-6-(2-methyl-1-oxopropyl)-2,5-cyclohexadien-1-one

CAS Registry Number®

96624-40-7

CAS Name

2-[[3-Benzoyl-2,6-dihydroxy-4-[(3-methyl-2-buten-1-yl)oxy]phenyl]methyl]-3,5-dihydroxy-4,4-dimethyl-6-(2-methyl-1-oxopropyl)-2,5-cyclohexadien-1-one

Molecular Formula

C31H34O8

Molecular Mass

534.60

Cite this Page

2-[[3-Benzoyl-2,6-dihydroxy-4-[(3-methyl-2-buten-1-yl)oxy]phenyl]methyl]-3,5-dihydroxy-4,4-dimethyl-6-(2-methyl-1-oxopropyl)-2,5-cyclohexadien-1-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=96624-40-7 (retrieved 2024-11-04) (CAS RN: 96624-40-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    138-140 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C31H34O8/c1-16(2)12-13-39-22-15-21(32)19(27(35)23(22)26(34)18-10-8-7-9-11-18)14-20-28(36)24(25(33)17(3)4)30(38)31(5,6)29(20)37/h7-12,15,17,32,35,37-38H,13-14H2,1-6H3

InChIKey

InChIKey=FWISFRPDKDPZRN-UHFFFAOYSA-N

SMILES

C(=O)(C1=C(OCC=C(C)C)C=C(O)C(CC=2C(=O)C(C(C(C)C)=O)=C(O)C(C)(C)C2O)=C1O)C3=CC=CC=C3

Canonical SMILES

O=C(C=1C=CC=CC1)C2=C(O)C(=C(O)C=C2OCC=C(C)C)CC=3C(=O)C(C(=O)C(C)C)=C(O)C(C3O)(C)C

Other Names for this Substance

  • 2,5-Cyclohexadien-1-one, 2-[[3-benzoyl-2,6-dihydroxy-4-[(3-methyl-2-buten-1-yl)oxy]phenyl]methyl]-3,5-dihydroxy-4,4-dimethyl-6-(2-methyl-1-oxopropyl)-
  • 2,5-Cyclohexadien-1-one, 2-[[3-benzoyl-2,6-dihydroxy-4-[(3-methyl-2-butenyl)oxy]phenyl]methyl]-3,5-dihydroxy-4,4-dimethyl-6-(2-methyl-1-oxopropyl)-
  • 2-[[3-Benzoyl-2,6-dihydroxy-4-[(3-methyl-2-buten-1-yl)oxy]phenyl]methyl]-3,5-dihydroxy-4,4-dimethyl-6-(2-methyl-1-oxopropyl)-2,5-cyclohexadien-1-one
  • Sarothralin
  • Japonicin C

View All

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