(5Xi,16α,20S)-16-Hydroxy-24-Methylene-3-Oxolanosta-7,9(11)-Dien-21-Oic Acid

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Formula C31H46O4
IUPAC Name (2r)-2-[(5s,10s,13r,14r,16r,17r)-16-hydroxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylene-heptanoic acid
Molecular Mass 482.695 g·mol−1
Heat of Formation -884.3 ± 16.7 kJ·mol−1
Dipole Moment 4.05 ± 1.08 D
Volume 631.27 Å 3
Surface Area 470.16 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy 3.31 ± eV
Point Group Symmetry C1
InChIKey KPKYWYZPIVAHKU-QHZMIEPDSA-N
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