(5S,6S)-2,3,8,10-Tetrahydroxy-5-(4-Hydroxy-3-Methoxyphenyl)-6-(Hydroxymethyl)-5,6-Dihydro-7H-Benzo[C]Xanthen-7-One

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Properties Simple | Detailed

Formula C25H20O9
IUPAC Name (5s,6s)-2,3,8,10-tetrahydroxy-5-(4-hydroxy-3-methoxy-phenyl)-6-(hydroxymethyl)-5,6-dihydrobenzo[c]xanthen-7-one
Molecular Mass 464.421 g·mol−1
Heat of Formation -1223.3 ± 16.7 kJ·mol−1
Dipole Moment 5.73 ± 1.08 D
Volume 502.77 Å 3
Surface Area 402.95 Å 2
HOMO Energy -8.53 ± 0.55 eV
LUMO Energy 1.97 ± eV
Point Group Symmetry C1
Synonyms
  • (5s,6s)-2,3,8,10-tetrahydroxy-5-(4-hydroxy-3-methoxy-phenyl)-6-(hydroxymethyl)-5,6-dihydrobenzo[c]xanthen-7-one
  • (5s,6s)-2,3,8,10-tetrahydroxy-5-(4-hydroxy-3-methoxy-phenyl)-6-methylol-5,6-dihydrobenzo[c]xanthen-7-one
  • (5s,6s)-2,3,8,10-tetrahydroxy-5-(4-hydroxy-3-methoxyphenyl)-6-(hydroxymethyl)-5,6-dihydrobenzo[c]xanthen-7-one
  • 7h-benzo(c)xanthen-7-one, 5,6-dihydro-2,3,8,10-tetrahydroxy-5-(4-hydroxy-3-methoxyphenyl)-6-(hydroxymethyl)-, cis-(-)-
  • cis-(-)-5,6-dihydro-2,3,8,10-tetrahydroxy-5-(4-hydroxy-3-methoxyphenyl)-6-(hydroxymethyl)-7h-benzo(c)xanthen-7-one
  • neohydnocarpin
CAS Number(s)
  • 71417-57-7
InChIKey MDUXUIQALBEIGB-QKKBWIMNSA-N
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