(11α)-11,17-Dihydroxy-3,20-Dioxopregn-4-En-21-Yl Dihydrogen Phosphate

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Formula C21H31O8P
IUPAC Name [2-[(8s,9s,10r,11s,13s,14s,17r)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] dihydrogen phosphate
Molecular Mass 442.440 g·mol−1
Heat of Formation -1843.0 ± 16.7 kJ·mol−1
Dipole Moment 4.54 ± 1.08 D
Volume 496.24 Å 3
Surface Area 388.67 Å 2
HOMO Energy -9.80 ± 0.55 eV
LUMO Energy -0.01 ± eV
Point Group Symmetry C1
InChIKey BGSOJVFOEQLVMH-JXJRQGLWSA-N
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