Hyodeoxycholic Acid

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Properties Simple | Detailed

Formula C24H40O4
IUPAC Name (4r)-4-[(3r,5r,6s,8s,9s,10r,13r,14s,17r)-3,6-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]pentanoic acid
Molecular Mass 392.572 g·mol−1
Heat of Formation -1072.2 ± 16.7 kJ·mol−1
Dipole Moment 3.44 ± 1.08 D
Volume 509.12 Å 3
Surface Area 393.79 Å 2
HOMO Energy -10.12 ± 0.55 eV
LUMO Energy 1.00 ± eV
Point Group Symmetry C1
Synonyms
  • (4r)-4-[(3r,5r,6s,8s,9s,10r,13r,14s,17r)-3,6-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]pentanoic acid
  • (4r)-4-[(3r,5r,6s,8s,9s,10r,13r,14s,17r)-3,6-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]valeric acid
  • 3alpha,6alpha-dihydroxy-5beta-cholanic acid
  • 6alpha-hydroxylithocholate
  • hyodeoxycholate
  • lmst04010024
  • smp1_000164
InChIKey DGABKXLVXPYZII-SIBKNCMHSA-N
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