Methyl N-(4-{[(8Xi,9Xi,10Xi,13Xi,14Xi,17Xi)-3,20-Dioxopregn-4-En-11-Yl]Oxy}-4-Oxobutanoyl)Tyrosinate

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Formula C35H45NO8
IUPAC Name [(8r,9s,10s,11s,13s,14r,17r)-17-acetyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-11-yl] 4-[[(1r)-1-[(4-hydroxyphenyl)methyl]-2-methoxy-2-oxo-ethyl]amino]-4-oxo-butanoate
Molecular Mass 607.734 g·mol−1
Heat of Formation -1475.8 ± 16.7 kJ·mol−1
Dipole Moment 3.15 ± 1.08 D
Volume 737.03 Å 3
Surface Area 570.09 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy 2.83 ± eV
Point Group Symmetry C1
InChIKey IHMMGUGHXAYMNJ-VSICDUEZSA-N
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