(5α)-Cholan-24-Oic Acid

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Properties Simple | Detailed

Formula C24H40O2
IUPAC Name (4r)-4-[(5r,8r,9s,10s,13r,14s,17r)-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 360.573 g·mol−1
Heat of Formation -716.6 ± 16.7 kJ·mol−1
Dipole Moment 2.19 ± 1.08 D
Volume 478.5 Å 3
Surface Area 379.24 Å 2
HOMO Energy -9.95 ± 0.55 eV
LUMO Energy 1.02 ± eV
Point Group Symmetry C1
Synonyms
  • (4r)-4-[(5r,8r,9s,10s,13r,14s,17r)-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-[(5r,8r,9s,10s,13r,14s,17r)-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
  • 5alpha-cholan-24-oic acid
  • 5alpha-cholanic acid
  • lmst04010002
InChIKey RPKLZQLYODPWTM-NIRKWIOJSA-N
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