(5β)-Lup-20(29)-En-3-One

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Formula C30H48O
IUPAC Name (1r,3ar,5ar,5br,7as,11ar,11br,13ar,13br)-1-isopropenyl-3a,5a,5b,8,8,11a-hexamethyl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1h-cyclopenta[a]chrysen-9-one
Molecular Mass 424.702 g·mol−1
Heat of Formation -452.7 ± 16.7 kJ·mol−1
Dipole Moment 3.89 ± 1.08 D
Volume 570.76 Å 3
Surface Area 408.02 Å 2
HOMO Energy -9.53 ± 0.55 eV
LUMO Energy 4.14 ± eV
Point Group Symmetry C1
Synonyms
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InChIKey GRBHNQFQFHLCHO-FBJARBBYSA-N
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Elements H C O