Estrofan

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Formula C22H29ClO6
IUPAC Name (z)-7-[(1r,2r,3r,5s)-2-[(e,3s)-4-(3-chlorophenoxy)-3-hydroxy-but-1-enyl]-3,5-dihydroxy-cyclopentyl]hept-5-enoic acid
Molecular Mass 424.915 g·mol−1
Heat of Formation -1129.7 ± 16.7 kJ·mol−1
Dipole Moment 4.14 ± 1.08 D
Volume 512.92 Å 3
Surface Area 408.31 Å 2
HOMO Energy -9.45 ± 0.55 eV
LUMO Energy -0.36 ± eV
Point Group Symmetry C1
InChIKey VJGGHXVGBSZVMZ-HBWANGNJSA-N
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Elements H C O Cl