(1R,4Ar,5R,8R,8Ar)-8-(Benzoyloxy)-5-[(3E)-5-Hydroxy-3-Methyl-3-Penten-1-Yl]-1,4A-Dimethyl-6-Methylenedecahydro-1-Naphthalenecarboxylic Acid

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Properties Simple | Detailed

Formula C27H36O5
IUPAC Name (1r,4ar,5r,8r,8ar)-8-benzoyloxy-5-[(e)-5-hydroxy-3-methyl-pent-3-enyl]-1,4a-dimethyl-6-methylene-decalin-1-carboxylic acid
Molecular Mass 440.572 g·mol−1
Heat of Formation 117719.2 ± 16.7 kJ·mol−1
Dipole Moment 23.14 ± 1.08 D
Volume 551.4 Å 3
Surface Area 430.84 Å 2
HOMO Energy -3.28 ± 0.55 eV
LUMO Energy -3.01 ± eV
Point Group Symmetry C1
InChIKey GIQOHSBJFWWSAH-ZYEVQTAUSA-N
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