(1S,3R,5E,7E,23R)-1,3,23,25-Tetrahydroxy-9,10-Secocholesta-5,7,10-Trien-24-One

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Formula C27H42O5
IUPAC Name (4r,6r)-6-[(1r,3as,4e,7ar)-4-[(2e)-2-[(3s,5s)-3,5-dihydroxy-2-methylene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]-2,4-dihydroxy-2-methyl-heptan-3-one
Molecular Mass 446.619 g·mol−1
Heat of Formation -1039.8 ± 16.7 kJ·mol−1
Dipole Moment 5.19 ± 1.08 D
Volume 590.28 Å 3
Surface Area 469.0 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy 3.20 ± eV
Point Group Symmetry C1
InChIKey ARRIBDAUGOLZSJ-ZXKUVYHPSA-N
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