(5R,6S,7R,8R)-8-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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Formula C28H32O9
IUPAC Name (5r,6s,7r,8r)-8-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 512.548 g·mol−1
Heat of Formation -1316.3 ± 16.7 kJ·mol−1
Dipole Moment 5.06 ± 1.08 D
Volume 604.58 Å 3
Surface Area 461.79 Å 2
HOMO Energy -8.38 ± 0.55 eV
LUMO Energy 3.09 ± eV
Point Group Symmetry C1
Synonyms
  • (5r,6s,7r,8r)-8-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 rel-(2e)-2-methylbut-2-enoate
  • 2-butenoic acid, 2-methyl-, (5r,6s,7r,8r)-5,6,7,8-tetrahydro-8-hydroxy-1,2,3,13-tetramethoxy-6,7-dimethylbenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-5-yl ester, (2e)-
  • ananosin a
InChIKey YREZDJJVCCDBTG-INQFUDPWSA-N
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