5-{[(5Xi,17Xi,20Xi)-24,25-Dihydroxy-3-Oxolanost-8-En-2-Yl]Oxy}-3-Hydroxy-3-Methyl-5-Oxopentanoic Acid

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Formula C36H58O8
IUPAC Name 5-[[(10s,13r,14r)-17-(4,5-dihydroxy-1,5-dimethyl-hexyl)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-2-yl]oxy]-3-hydroxy-3-methyl-5-oxo-pentanoic acid
Molecular Mass 618.841 g·mol−1
Heat of Formation 3585.3 ± 16.7 kJ·mol−1
Dipole Moment 3.18 ± 1.08 D
Volume 635.59 Å 3
Surface Area 540.66 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy -2.65 ± eV
Point Group Symmetry C1
InChIKey FNHDSKHVYPYDAZ-VZPCPVQSSA-N
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