(5R,6R,7S)-6-Hydroxy-1,2,3,13-Tetramethoxy-6,7-Dimethyl-5,6,7,8-Tetrahydrobenzo[3',4']Cycloocta[1',2':4,5]Benzo[1,2-D][1,3]Dioxol-5-Yl Benzoate

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Formula C30H32O9
IUPAC Name (5r,6r,7s)-6-hydroxy-1,2,3,13-tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-5-yl benzoate
Molecular Mass 536.570 g·mol−1
Heat of Formation -1194.9 ± 16.7 kJ·mol−1
Dipole Moment 2.46 ± 1.08 D
Volume 614.51 Å 3
Surface Area 432.16 Å 2
HOMO Energy -8.31 ± 0.55 eV
LUMO Energy 2.44 ± eV
Point Group Symmetry C1
Synonyms
  • 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, stereoisomer
  • benzo(3,4)cycloocta(1,2-f)(1,3)benzodioxole-5,6-diol, 5,6,7,8-tetrahydro-6,7-dimethyl-1,2,3,13-tetramethoxy-, 5-benzoate, stereoisomer
  • schizandrer a
CAS Number(s)
  • 82042-38-4
InChIKey UFCGDBKFOKKVAC-HYSLPFRTSA-N
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