(3S,5S,6Ar,7R,8R,9R,10S,10Ar)-1,3,9-Triacetoxy-10-Hydroxy-7,8-Dimethyl-7-(3-Methylenepent-4-En-1-Yl)-3,5,6,6A,7,8,9,10-Octahydronaphtho[1,8A-C]Furan-5-Yl Butyrate

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Formula C30H42O10
IUPAC Name [(1r,3s,5s,6ar,7r,8r,9r,10s,10ar)-1,3,9-tri(acetyloxy)-10-hydroxy-7,8-dimethyl-7-(3-methylenepent-4-enyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d]isobenzofuran-5-yl] butanoate
Molecular Mass 562.649 g·mol−1
Heat of Formation -1906.3 ± 16.7 kJ·mol−1
Dipole Moment 6.53 ± 1.08 D
Volume 683.59 Å 3
Surface Area 455.14 Å 2
HOMO Energy -9.74 ± 0.55 eV
LUMO Energy 0.19 ± eV
Point Group Symmetry C1
Synonyms
  • caseamembrins n
InChIKey GFJLYOYUCCNCHS-PDUGWLJNSA-N
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