(9Ar)-3-Hexanoyl-9A-Methyl-6-[(1E)-1-Propen-1-Yl]Furo[3,2-G]Isoquinoline-2,9(7H,9Ah)-Dione

Molecule SVG Image

Properties Simple | Detailed

Formula C21H23NO4
IUPAC Name (9ar)-3-hexanoyl-9a-methyl-6-[(e)-prop-1-enyl]-7,8-dihydro-5h-furo[3,2-g]isoquinoline-5,6,8,8a-tetraide-2,9-dione
Molecular Mass 353.412 g·mol−1
Heat of Formation -490.2 ± 16.7 kJ·mol−1
Dipole Moment 12.87 ± 1.08 D
Volume 430.0 Å 3
Surface Area 384.03 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy -1.41 ± eV
Point Group Symmetry C1
Synonyms
  • (9ar)-3-caproyl-9a-methyl-6-[(e)-prop-1-enyl]-7h-furo[4,5-g]isoquinoline-2,9-quinone
  • (9ar)-3-hexanoyl-9a-methyl-6-[(e)-prop-1-enyl]-7h-furo[4,5-g]isoquinoline-2,9-dione
  • (9ar)-9a-methyl-3-(1-oxohexyl)-6-[(e)-prop-1-enyl]-7h-furo[4,5-g]isoquinoline-2,9-dione
  • 9a-methyl-3-(1-oxohexyl)-6-(1-propenyl)- (r-(e))furo(3,2-g)isoquinoline-2,9(7h,9ah)-dione
  • furo(3,2-g)isoquinoline-2,9(7h,9ah)-dione, 9a-methyl-3-(1-oxohexyl)-6-(1-propenyl)- (r-(e))-
  • rubropunctamine
  • rubropunctatamine
CAS Number(s)
  • 514-66-9
InChIKey OVOAWDOEFJNCGI-WKOQKXSESA-N
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