5Β-Cholanic Acid

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Properties Simple | Detailed

Formula C24H40O2
IUPAC Name (4r)-4-[(5s,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 -717.6 ± 16.7 kJ·mol−1
Dipole Moment 1.65 ± 1.08 D
Volume 481.84 Å 3
Surface Area 373.26 Å 2
HOMO Energy -9.82 ± 0.55 eV
LUMO Energy 1.00 ± eV
Point Group Symmetry C1
Synonyms
  • (4r)-4-[(5s,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-[(5s,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
  • (5beta)-cholan-24-oic acid
  • (5beta,17beta)-gamma-methylandrostane-17-butanoic acid
  • 5.beta.-cholan-24-oic acid
  • 5.beta.-cholanic acid
  • 5.beta.-cholanoic acid
  • 5beta-cholan-24-oic acid
  • 5beta-cholan-24-oic acid (8ci)
  • 5beta-cholanic acid
  • 5beta-cholanoic acid
  • androstane-17-butanoic acid, .gamma.-methyl-, (5.beta.,17.beta.)-
  • androstane-17-butanoic acid, gamma-methyl-, (5beta,17beta)-
  • cholan-24-oic acid, (5.beta.)-
  • cholan-24-oic acid, (5beta)- (9ci)
  • cholanoic acid
  • l 596205-0
  • lmst04010441
  • ursocholanic acid
CAS Number(s)
  • 546-18-9
InChIKey RPKLZQLYODPWTM-LVVAJZGHSA-N
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