Vibsanol A

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Properties Simple | Detailed

Formula C25H36O6
IUPAC Name [(1r,2e,4s,6z,9e,11r)-11-hydroxy-7-(hydroxymethyl)-4-[(e)-4-hydroxy-4-methyl-pent-2-enyl]-4,11-dimethyl-8-oxo-cycloundeca-2,6,9-trien-1-yl] 3-methylbut-2-enoate
Molecular Mass 432.550 g·mol−1
Heat of Formation -1056.8 ± 16.7 kJ·mol−1
Dipole Moment 6.77 ± 1.08 D
Volume 559.69 Å 3
Surface Area 424.43 Å 2
HOMO Energy -9.84 ± 0.55 eV
LUMO Energy -0.40 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2e,4s,6z,9e,11r)-11-hydroxy-7-(hydroxymethyl)-4-[(2e)-4-hydroxy-4-methylpent-2-en-1-yl]-4,11-dimethyl-8-oxocycloundeca-2,6,9-trien-1-yl rel-3-methylbut-2-enoate
  • 2-butenoic acid, 3-methyl-, (1r,2e,4s,6z,9e,11r)-11-hydroxy-7-(hydroxymethyl)-4-[(2e)-4-hydroxy-4-methyl-2-pentenyl]-4,11-dimethyl-8-oxo-2,6,9-cycloundecatrien-1-yl ester
  • 3-methyl-but-2-enoic acid 11-hydroxy-7-hydroxymethyl-4-(4-hydroxy-4-methyl-pent-2-enyl)-4,11-dimethyl-8-oxo-cycloundeca-2,6,9-trienyl ester
  • 3-methylbut-2-enoic acid [(1r,2e,4s,6z,9e,11r)-11-hydroxy-4-[(e)-4-hydroxy-4-methyl-pent-2-enyl]-8-keto-4,11-dimethyl-7-methylol-1-cycloundeca-2,6,9-trienyl] ester
  • 3-methylbut-2-enoic acid [(1r,2e,4s,6z,9e,11r)-11-hydroxy-7-(hydroxymethyl)-4-[(e)-4-hydroxy-4-methylpent-2-enyl]-4,11-dimethyl-8-oxo-1-cycloundeca-2,6,9-trienyl] ester
  • [(1r,2e,4s,6z,9e,11r)-11-hydroxy-7-(hydroxymethyl)-4-[(e)-4-hydroxy-4-methyl-pent-2-enyl]-4,11-dimethyl-8-oxo-1-cycloundeca-2,6,9-trienyl] 3-methylbut-2-enoate
  • [(1r,2e,4s,6z,9e,11r)-11-hydroxy-7-(hydroxymethyl)-4-[(e)-4-hydroxy-4-methylpent-2-enyl]-4,11-dimethyl-8-oxo-1-cycloundeca-2,6,9-trienyl] 3-methylbut-2-enoate
InChIKey BFHUVBRMXMQPJH-KFKQBPMQSA-N
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