(5S,6S,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 (2E)-2-Methyl-2-Butenoate

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Properties Simple | Detailed

Formula C28H30O9
IUPAC Name (5s,6s,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 (2e)-2-methyl-2-butenoate
Molecular Mass 510.532 g·mol−1
Heat of Formation -1324.7 ± 16.7 kJ·mol−1
Dipole Moment 1.87 ± 1.08 D
Volume 604.87 Å 3
Surface Area 434.71 Å 2
HOMO Energy -8.30 ± 0.55 eV
LUMO Energy 3.05 ± eV
Point Group Symmetry C1
CAS Number(s)
  • 64938-51-8
InChIKey BKGUPIVDQHHVMV-LSHKVNPSSA-N
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