Aurilol

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Formula C30H53BrO7
IUPAC Name (3r,6r)-6-[(2s,5r)-5-[(2s,5s)-5-[(2r,4as,7r,9ar)-7-bromo-2,6,6,9a-tetramethyl-3,4,4a,7,8,9-hexahydropyrano[3,2-b]oxepin-2-yl]tetrahydrofuran-2-yl]-5-methyl-tetrahydrofuran-2-yl]-2-methyl-heptane-2,3,6-triol
Molecular Mass 605.642 g·mol−1
Heat of Formation -1704.3 ± 16.7 kJ·mol−1
Dipole Moment 1.73 ± 1.08 D
Volume 716.55 Å 3
Surface Area 545.51 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy 0.42 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,6r)-6-[(2s,5r)-5-[(2s,5s)-5-[(2r,4as,7r,9ar)-7-bromo-2,6,6,9a-tetramethyl-3,4,4a,7,8,9-hexahydropyrano[6,5-f]oxepin-2-yl]-2-tetrahydrofuranyl]-5-methyl-2-tetrahydrofuranyl]-2-methylheptane-2,3,6-triol
  • (3r,6r)-6-[(2s,5r)-5-[(2s,5s)-5-[(2r,4as,7r,9ar)-7-bromo-2,6,6,9a-tetramethyl-3,4,4a,7,8,9-hexahydropyrano[6,5-f]oxepin-2-yl]oxolan-2-yl]-5-methyl-oxolan-2-yl]-2-methyl-heptane-2,3,6-triol
  • (3r,6r)-6-[(2s,5r)-5-[(2s,5s)-5-[(2r,4as,7r,9ar)-7-bromo-2,6,6,9a-tetramethyl-3,4,4a,7,8,9-hexahydropyrano[6,5-f]oxepin-2-yl]tetrahydrofuran-2-yl]-5-methyl-tetrahydrofuran-2-yl]-2-methyl-heptane-2,3,6-triol
InChIKey IBSHOIPKLBGOQX-BTSUPPDFSA-N
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Elements H C Br O