(3As,5Ar,6S,9R,10Ar)-9-(Benzoyloxy)-8-[(Benzoyloxy)Methyl]-6-Hydroxy-1-Isopropyl-5A-Methyl-2,4,5,5A,6,9,10,10A-Octahydrocyclohepta[E]Indene-3A(3H)-Carboxylic Acid

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Properties Simple | Detailed

Formula C27H18O7
IUPAC Name (3as,5ar,6s,9r,10ar)-9-benzoyloxy-8-(benzoyloxymethyl)-6-hydroxy-5a-methyl-1-propan-2-yl-2,3,4,5,6,9,10,10a-octahydrocyclohepta[g]indene-3a-carboxylic acid
Molecular Mass 454.428 g·mol−1
Heat of Formation -1093.1 ± 16.7 kJ·mol−1
Dipole Moment 4.72 ± 1.08 D
Volume 678.21 Å 3
Surface Area 514.77 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy 2.34 ± eV
Point Group Symmetry C1
InChIKey RIFCQBXYULQNTC-MVKHKYTLSA-N
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