(3S,4Ar,10As)-3,6,9-Trihydroxy-7-Methoxy-3-Methyl-3,4,4A,10A-Tetrahydro-1H-Benzo[G]Isochromene-5,10-Dione

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Properties Simple | Detailed

Formula C15H16O7
IUPAC Name (3s,4ar,10as)-3,6,9-trihydroxy-7-methoxy-3-methyl-1,4,4a,10a-tetrahydrobenzo[g]isochromene-5,10-dione
Molecular Mass 308.283 g·mol−1
Heat of Formation -1126.4 ± 16.7 kJ·mol−1
Dipole Moment 5.73 ± 1.08 D
Volume 332.67 Å 3
Surface Area 293.37 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -1.09 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,4ar,10as)-3,6,9-trihydroxy-7-methoxy-3-methyl-1,4,4a,10a-tetrahydrobenzo[g]isochromene-5,10-dione
  • (3s,4ar,10as)-3,6,9-trihydroxy-7-methoxy-3-methyl-1,4,4a,10a-tetrahydrobenzo[g]isochromene-5,10-quinone
  • 1h-naphtho(2,3-c)pyran-5,10-dione, 3,4,4a,10a-tetrahydro-3,6,9-trihydroxy-7-methoxy-3-methyl-, (3alpha,4aalpha,10abeta)-(+)-
  • 4,10-dihydrofusarubin
  • 4a,10a-dihydrofusarubin a
  • 4a,10a-dihydrofusarubin b
CAS Number(s)
  • 67533-03-3
InChIKey QAZUIAWXSOSLDF-YRRYFFEDSA-N
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