3,7,12,22-Tetrahydroxycholestan-26-Oic Acid

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Formula C27H46O6
IUPAC Name (2r,5s,6s)-5-hydroxy-2-methyl-6-[(3r,5s,7r,8r,9s,10s,12s,13r,14s,17r)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]heptanoic acid
Molecular Mass 466.651 g·mol−1
Heat of Formation 2832.5 ± 16.7 kJ·mol−1
Dipole Moment 6.09 ± 1.08 D
Volume 458.07 Å 3
Surface Area 379.97 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy -2.67 ± eV
Point Group Symmetry C1
InChIKey MDFNVHMQCZHMCN-PHHKFOHVSA-N
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