(24Xi)-3,5,22,24-Tetrahydroxyergostan-6-Yl Acetate

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Formula C30H52O6
IUPAC Name [(3s,5r,6r,8s,9s,10r,13s,14s,17r)-17-[(1s,2r,4s)-2,4-dihydroxy-1,4,5-trimethyl-hexyl]-3,5-dihydroxy-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-yl] acetate
Molecular Mass 508.730 g·mol−1
Heat of Formation 3210.7 ± 16.7 kJ·mol−1
Dipole Moment 13.37 ± 1.08 D
Volume 510.3 Å 3
Surface Area 423.59 Å 2
HOMO Energy -8.35 ± 0.55 eV
LUMO Energy -3.19 ± eV
Point Group Symmetry C1
InChIKey DSWIQYPNVUWDSX-SHUNJJBJSA-N
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