(3β)-3-({[(1S,2R)-2-Carboxycyclohexyl]Carbonyl}Oxy)-11-Oxoolean-12-En-30-Oic Acid

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Properties Simple | Detailed

Formula C38H24O7
IUPAC Name carbon dioxide; isobenzofuran-1,3-dione; (17r)-2',7,10,13,18-pentamethylenespiro[bicyclo[12.4.1]nonadeca-14(19),15-dien-3,5,8,11-tetrayne-17,1'-cyclopropane]-2-one; prop-1-yn-1-ol
Molecular Mass 592.593 g·mol−1
Heat of Formation 4596.4 ± 16.7 kJ·mol−1
Dipole Moment 3.01 ± 1.08 D
Volume 680.26 Å 3
Surface Area 519.55 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy -2.16 ± eV
Point Group Symmetry C1
InChIKey IPIHZIYZLLMCRF-APMXPKBPSA-N
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