6-Hydroxy-5,9-Dimethyl-7-Oxo-1-[(2E)-4-Oxo-2-Penten-2-Yl]-8-(Pyruvoylamino)-7H-Naphtho[2,1-D][1,3]Dioxin-10-Yl Acetate

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Properties Simple | Detailed

Formula C24H23NO9
IUPAC Name [6-hydroxy-5,9-dimethyl-1-[(e)-1-methyl-3-oxo-but-1-enyl]-7-oxo-8-(2-oxopropanoylamino)benzo[f][1,3]benzodioxin-10-yl] acetate
Molecular Mass 469.441 g·mol−1
Heat of Formation -1328.4 ± 16.7 kJ·mol−1
Dipole Moment 5.09 ± 1.08 D
Volume 526.04 Å 3
Surface Area 412.19 Å 2
HOMO Energy -8.50 ± 0.55 eV
LUMO Energy -1.92 ± eV
Point Group Symmetry C1
Synonyms
  • [6-hydroxy-5,9-dimethyl-1-[(e)-1-methyl-3-oxo-but-1-enyl]-7-oxo-8-(2-oxopropanoylamino)benzo[f][1,3]benzodioxin-10-yl] acetate
  • [6-hydroxy-5,9-dimethyl-7-oxo-1-[(e)-4-oxopent-2-en-2-yl]-8-(2-oxopropanoylamino)benzo[f][1,3]benzodioxin-10-yl] acetate
  • [6-hydroxy-5,9-dimethyl-7-oxo-1-[(e)-4-oxopent-2-en-2-yl]-8-(2-oxopropanoylamino)benzo[f][1,3]benzodioxin-10-yl] ethanoate
  • acetic acid [6-hydroxy-7-keto-1-[(e)-3-keto-1-methyl-but-1-enyl]-5,9-dimethyl-8-pyruvamido-benzo[f][1,3]benzodioxin-10-yl] ester
  • acetic acid [8-(1,2-dioxopropylamino)-6-hydroxy-5,9-dimethyl-1-[(e)-1-methyl-3-oxobut-1-enyl]-7-oxo-10-benzo[f][1,3]benzodioxinyl] ester
  • propanamide, n-(10-(acetyloxy)-7-hydroxy-5,9-dimethyl-1-(1-methyl-3-oxo-1-butenyl)-6-oxo-6h-naphtho(2,1-d)(1,3)dioxin-8-yl)-2-oxo-, (e)-
CAS Number(s)
  • 36108-44-8
InChIKey HPPCQOVVWQZCQG-VQHVLOKHSA-N
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