(5α,6α)-6-Hydroxycholan-24-Oic Acid

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Formula C24H40O3
IUPAC Name (4r)-4-[(5s,6s,8s,9s,10r,13r,14s,17r)-6-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Molecular Mass 376.573 g·mol−1
Heat of Formation -892.8 ± 16.7 kJ·mol−1
Dipole Moment 1.32 ± 1.08 D
Volume 497.54 Å 3
Surface Area 387.3 Å 2
HOMO Energy -10.03 ± 0.55 eV
LUMO Energy 0.98 ± eV
Point Group Symmetry C1
Synonyms
  • (4r)-4-[(5s,6s,8s,9s,10r,13r,14s,17r)-6-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentanoic acid
  • (4r)-4-[(5s,6s,8s,9s,10r,13r,14s,17r)-6-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]valeric acid
  • 6alpha-hydroxy-5alpha-cholan-24-oic acid
InChIKey AOZMFMMOEOBOTA-JHFIDHCDSA-N
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