(1β,3β,11Alpha)-1,3,11-Trihydroxy-7-Oxolanosta-8,24-Dien-29-Oic Acid

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Formula C26H14O6
IUPAC Name (1r,3s,4r,5r,10s,11r,13r,14r,17r)-1,3,11-trihydroxy-4,10,13,14-tetramethyl-17-[(2r)-6-methylhept-5-en-2-yl]-7-oxo-1,2,3,5,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthrene-4-carboxylic acid
Molecular Mass 422.386 g·mol−1
Heat of Formation -1341.6 ± 16.7 kJ·mol−1
Dipole Moment 3.38 ± 1.08 D
Volume 623.89 Å 3
Surface Area 470.72 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy 2.55 ± eV
Point Group Symmetry C1
InChIKey KDPKGPAHQJHMQT-SYGGIMJSSA-N
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