Algestone Acetophenide

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Formula C29H36O4
IUPAC Name (1r,2s,4r,6r,8s,9s,12s,13r)-8-acetyl-6,9,13-trimethyl-6-phenyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-16-one
Molecular Mass 448.594 g·mol−1
Heat of Formation -310.9 ± 16.7 kJ·mol−1
Dipole Moment 3.97 ± 1.08 D
Volume 547.47 Å 3
Surface Area 391.1 Å 2
HOMO Energy -9.72 ± 0.55 eV
LUMO Energy -0.61 ± eV
Point Group Symmetry C1
Synonyms
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InChIKey AHBKIEXBQNRDNL-FVCOMRFXSA-N
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Elements H C O