(2S)-6-Methyl-2-[(1S,4R,4As)-4-Methyl-7-Methylene-1,2,3,4,4A,5,6,7-Octahydro-1-Naphthalenyl]-4-Oxo-5-Hepten-3-Yl Acetate

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Properties Simple | Detailed

Formula C22H32O3
IUPAC Name [(1s)-1-[(1s)-1-[(1s,4r,4as)-4-methyl-7-methylene-2,3,4,4a,5,6-hexahydro-1h-naphthalen-1-yl]ethyl]-4-methyl-2-oxo-pent-3-enyl] acetate
Molecular Mass 344.488 g·mol−1
Heat of Formation -606.2 ± 16.7 kJ·mol−1
Dipole Moment 1.78 ± 1.08 D
Volume 457.6 Å 3
Surface Area 384.94 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy 0.06 ± eV
Point Group Symmetry C1
InChIKey ALKQOCXLHHKOJQ-USIAYAAPSA-N
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