(3β,22Alpha)-3,22-Dihydroxyurs-12-En-30-Oic Acid

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Formula C30H18O4
IUPAC Name (1r,2r,4s,4ar,6ar,6as,6br,8ar,10s,12ar,14bs)-4,10-dihydroxy-1,4a,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1h-picene-2-carboxylic acid
Molecular Mass 442.462 g·mol−1
Heat of Formation 3857.6 ± 16.7 kJ·mol−1
Dipole Moment 3.67 ± 1.08 D
Volume 520.79 Å 3
Surface Area 443.03 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy -2.12 ± eV
Point Group Symmetry C1
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InChIKey IWVWTVWLRSUYNC-YLOASUEESA-N
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Elements C O