(3R)-3-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-Dihydroxy-10,13-Dimethylhexadecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Butanoic Acid

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Formula C23H38O4
IUPAC Name (3r)-3-[(3r,5s,7s,8r,9s,10s,13r,14s,17r)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]butanoic acid
Molecular Mass 378.545 g·mol−1
Heat of Formation -1065.2 ± 16.7 kJ·mol−1
Dipole Moment 1.61 ± 1.08 D
Volume 487.24 Å 3
Surface Area 374.58 Å 2
HOMO Energy -9.99 ± 0.55 eV
LUMO Energy 1.00 ± eV
Point Group Symmetry C1
Synonyms
  • (3r)-3-[(3r,5s,7s,8r,9s,10s,13r,14s,17r)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]butanoic acid
  • (3r)-3-[(3r,5s,7s,8r,9s,10s,13r,14s,17r)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]butyric acid
  • 24-norcholan-23-oic acid, 3,7-dihydroxy-, (3alpha,5beta,7beta)-
  • 24-norursodeoxycholic acid
  • nor-udca
CAS Number(s)
  • 99697-24-2
InChIKey QYYDXDSPYPOWRO-JHMCBHKWSA-N
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