Schisantherin A

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Properties Simple | Detailed

Formula C30H32O9
IUPAC Name schisantherin a
Molecular Mass 536.570 g·mol−1
Heat of Formation -1214.6 ± 16.7 kJ·mol−1
Dipole Moment 0.63 ± 1.08 D
Volume 618.5 Å 3
Surface Area 446.63 Å 2
HOMO Energy -8.25 ± 0.55 eV
LUMO Energy 2.67 ± eV
Point Group Symmetry C1
Synonyms
  • (5s-(5alpha,6beta,7beta))-5,6,7,8-tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethylbenzo(3,4)cycloocta(1,2-f)(1,3)benzodioxole-5,6-diol 5-benzoate
  • benzo(3,4)cycloocta(1,2-f)(1,3)benzodioxole-5,6-diol, 5,6,7,8-tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethyl-, 5-benzoate, (5s-(5alpha,6beta,7beta))-
CAS Number(s)
  • 58546-56-8
InChIKey UFCGDBKFOKKVAC-DSASHONVSA-N
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