(25R)-3Β-Hydroxycholest-5-En-26-Oic Acid

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Formula C27H44O3
IUPAC Name (2r,6r)-6-[(3s,8s,9s,10r,13r,14r,17s)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-methyl-heptanoic acid
Molecular Mass 416.636 g·mol−1
Heat of Formation -871.5 ± 16.7 kJ·mol−1
Dipole Moment 2.78 ± 1.08 D
Volume 565.38 Å 3
Surface Area 447.19 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy 0.97 ± eV
Point Group Symmetry C1
InChIKey WVXOMPRLWLXFAP-LIHGAALDSA-N
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Elements H C O