(1S,4E,4As,9R,11Ar)-1-Hydroxy-4-[(2E)-4-Hydroxy-4-Methyl-2-Penten-1-Ylidene]-7-Methyl-11-Methylene-1,3,4,4A,5,6,9,10,11,11A-Decahydrocyclonona[C]Pyran-9-Yl Acetate

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Properties Simple | Detailed

Formula C22H32O5
IUPAC Name [(1s,4e,4as,9r,11ar)-1-hydroxy-4-[(e)-4-hydroxy-4-methyl-pent-2-enylidene]-7-methyl-11-methylene-4a,5,6,9,10,11a-hexahydro-1h-cyclonona[c]pyran-9-yl] acetate
Molecular Mass 376.486 g·mol−1
Heat of Formation -850.4 ± 16.7 kJ·mol−1
Dipole Moment 5.49 ± 1.08 D
Volume 476.19 Å 3
Surface Area 371.11 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy 0.43 ± eV
Point Group Symmetry C1
InChIKey HQARFHQMWNQSHT-IMYAWWAOSA-N
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