(2S,3S,4As)-2,3,7-Trihydroxy-9-Methoxy-4A-Methyl-2,3,4,4A-Tetrahydro-6H-Benzo[C]Chromen-6-One

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Formula C15H16O6
IUPAC Name (2s,3s,4as)-2,3,7-trihydroxy-9-methoxy-4a-methyl-3,4-dihydro-2h-benzo[c]chromen-6-one
Molecular Mass 292.284 g·mol−1
Heat of Formation -927.2 ± 16.7 kJ·mol−1
Dipole Moment 6.19 ± 1.08 D
Volume 324.74 Å 3
Surface Area 286.16 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy -0.81 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4as)-2,3,7-trihydroxy-9-methoxy-4a-methyl-3,4-dihydro-2h-benzo[c]isochromen-6-one
  • 6h-dibenzo(b,d)pyran-6-one, 2,3,4,4a-tetrahydro-2,3,7-trihydroxy-9-methoxy-4a-me
  • 6h-dibenzo(b,d)pyran-6-one, 2,3,4,4a-tetrahydro-2,3,7-trihydroxy-9-methoxy-4a-methyl-, (2-alpha,3-beta,4a-beta)-(+-)-
  • acon0_001041
  • acon1_002175
  • altenuene
  • megxm0_000136
CAS Number(s)
  • 29752-43-0
InChIKey MMHTXEATDNFMMY-WBIUFABUSA-N
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