(3S,5Z,7E,14Xi,22E)-9,10-Secoergosta-5,7,10,22-Tetraene-3,24,25,26-Tetrol

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Formula C28H44O4
IUPAC Name (e,2r,3r,6r)-6-[(1r,3as,4e,7ar)-4-[(2z)-2-[(5s)-5-hydroxy-2-methylene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]-2,3-dimethyl-hept-4-ene-1,2,3-triol
Molecular Mass 444.647 g·mol−1
Heat of Formation -835.6 ± 16.7 kJ·mol−1
Dipole Moment 3.79 ± 1.08 D
Volume 595.39 Å 3
Surface Area 469.93 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy -0.07 ± eV
Point Group Symmetry C1
InChIKey NIPBJAHEKKUHJP-YQNSREMASA-N
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