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

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Formula C22H26O6
IUPAC Name (6r,7s)-2,3,13-trimethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-1-ol
Molecular Mass 386.438 g·mol−1
Heat of Formation -825.6 ± 16.7 kJ·mol−1
Dipole Moment 2.04 ± 1.08 D
Volume 450.8 Å 3
Surface Area 359.36 Å 2
HOMO Energy -8.46 ± 0.55 eV
LUMO Energy -0.18 ± eV
Point Group Symmetry C1
Synonyms
  • (+/-)-gomisin m1
  • benzo(3,4)cycloocta(1,2-f)(1,3)benzodioxol-1-ol, 5,6,7,8-tetrahydro-2,3,13-trimethoxy-6,7-dimethyl-, stereoisomer
  • benzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-1-ol, 5,6,7,8-tetrahydro-2,3,13-trimethoxy-6,7-dimethyl-, (6r,7s)-
CAS Number(s)
  • 102681-52-7
InChIKey OGJPBGDUYKEQLA-NEPJUHHUSA-N
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