(3α,4Beta,5α,6α,7Beta,14Beta,24Xi)-3,4,6,7,29-Pentahydroxy-22,29-Epoxystigmastan-15-One

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Formula C29H48O7
IUPAC Name (3r,4r,5r,6r,7r,8r,9s,10r,13r,14r,17r)-3,4,6,7-tetrahydroxy-17-[(1s)-1-[(2s,4s,6r)-6-hydroxy-4-isopropyl-tetrahydropyran-2-yl]ethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,16,17-tetradecahydrocyclopenta[a]phenanthren-15-one
Molecular Mass 508.687 g·mol−1
Heat of Formation -1615.0 ± 16.7 kJ·mol−1
Dipole Moment 5.15 ± 1.08 D
Volume 631.87 Å 3
Surface Area 475.5 Å 2
HOMO Energy -9.66 ± 0.55 eV
LUMO Energy 4.04 ± eV
Point Group Symmetry C1
InChIKey IRHVLQMEQPABHG-QNQKMYPGSA-N
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