(3β,8Xi,12β,14β)-3,8,14,17,20-Pentahydroxypregn-5-En-12-Yl (2E)-3-Phenylacrylate

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Formula C30H40O7
IUPAC Name [(3s,8s,9r,10r,12r,13r,14r,17s)-3,8,14,17-tetrahydroxy-17-[(1r)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] (e)-3-phenylprop-2-enoate
Molecular Mass 512.634 g·mol−1
Heat of Formation -1332.3 ± 16.7 kJ·mol−1
Dipole Moment 2.75 ± 1.08 D
Volume 608.67 Å 3
Surface Area 472.82 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy 2.30 ± eV
Point Group Symmetry C1
InChIKey CSSZPOBBUXFMAA-JWBRRKRUSA-N
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