(23E)-2,20,25-Trihydroxy-9,10,14-Trimethyl-1,11,22-Trioxo-4,9-Cyclo-9,10-Secocholesta-5,23-Dien-16-Yl 2-O-Acetyl-6-Deoxyhexopyranosid-3-Ulose

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Formula C38H54O12
IUPAC Name [(2s,3r,5s,6r)-2-[[(2r,8r,9r,10s,13s,14r,16r,17r)-17-[(e,1s)-1,5-dihydroxy-1,5-dimethyl-2-oxo-hex-3-enyl]-2-hydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1h-cyclopenta[a]phenanthren-16-yl]oxy]-5-hydroxy-6-methyl-4-oxo-tetrahydropyran-3-yl] acetate
Molecular Mass 702.828 g·mol−1
Heat of Formation -2229.8 ± 16.7 kJ·mol−1
Dipole Moment 7.66 ± 1.08 D
Volume 838.04 Å 3
Surface Area 579.8 Å 2
HOMO Energy -9.51 ± 0.55 eV
LUMO Energy 2.51 ± eV
Point Group Symmetry C1
InChIKey RRPAPBCRZGEXTR-RPJIICPJSA-N
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