(1S,3R,5Z,7Z,22E)-9,10-Secoergosta-5,7,10,22-Tetraene-1,3,24,25,26-Pentol

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Formula C28H16O5
IUPAC Name (e,2r,3r,6r)-6-[(1r,3as,4e,7ar)-4-[(2z)-2-[(3s,5r)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]-2,3-dimethylhept-4-ene-1,2,3-triol
Molecular Mass 432.424 g·mol−1
Heat of Formation 2158.8 ± 16.7 kJ·mol−1
Dipole Moment 5.25 ± 1.08 D
Volume 465.55 Å 3
Surface Area 402.64 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy -2.76 ± eV
Point Group Symmetry C1
InChIKey JIKNSRWYDSGVIZ-NDYXVRCRSA-N
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