Sipholenol A

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Formula C30H52O4
IUPAC Name (3r,5ar,6r,7s,9ar)-6-[2-[(1r,3ar,5s,8ar)-1-hydroxy-1,4,4,6-tetramethyl-2,3,3a,5,8,8a-hexahydroazulen-5-yl]ethyl]-2,2,5a,7-tetramethyl-4,5,6,8,9,9a-hexahydro-3h-benzo[b]oxepine-3,7-diol
Molecular Mass 476.731 g·mol−1
Heat of Formation -1073.4 ± 16.7 kJ·mol−1
Dipole Moment 2.29 ± 1.08 D
Volume 637.09 Å 3
Surface Area 455.85 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy 4.42 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,5ar,6r,7s,9ar)-6-[2-[(1r,3ar,5s,8ar)-1-hydroxy-1,4,4,6-tetramethyl-2,3,3a,5,8,8a-hexahydroazulen-5-yl]ethyl]-2,2,5a,7-tetramethyl-4,5,6,8,9,9a-hexahydro-3h-benzo[f]oxepine-3,7-diol
  • sipholenol-a
CAS Number(s)
  • 78518-73-7
InChIKey LVWWPNAIMBYRKG-KOHQYJKCSA-N
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