Neo-Chamaejasmin A

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Properties Simple | Detailed

Formula C30H22O10
IUPAC Name (2s,3s)-3-[(2s,3s)-5,7-dioxido-2-(4-oxidobenzene-3,5-diid-1-yl)-4-oxo-chroman-3-yl]-2-(4-oxidobenzene-3,5-diid-1-yl)-4-oxo-chroman-6-ide-5,7-diolate
Molecular Mass 542.490 g·mol−1
Heat of Formation -1411.8 ± 16.7 kJ·mol−1
Dipole Moment 0.78 ± 1.08 D
Volume 584.71 Å 3
Surface Area 432.75 Å 2
HOMO Energy -9.28 ± 0.55 eV
LUMO Energy -0.54 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s)-3-[(2s,3s)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-keto-chroman-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chroman-4-one
  • (2s,3s)-3-[(2s,3s)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3-chromanyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-chromanone
  • (2s,3s)-3-[(2s,3s)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-chroman-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chroman-4-one
  • (2s,3s)-3-[(2s,3s)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochroman-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chroman-4-one
  • neochamaejasmin a
InChIKey RNQBLQALVMHBKH-OIWKEWRZSA-N
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