3B-Hydroxy-5-Cholenoic Acid

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Properties Simple | Detailed

Formula C24H38O3
IUPAC Name (4r)-4-[(3s,8s,9s,10r,13r,14s,17r)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Molecular Mass 374.557 g·mol−1
Heat of Formation -810.8 ± 16.7 kJ·mol−1
Dipole Moment 2.01 ± 1.08 D
Volume 492.56 Å 3
Surface Area 383.76 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy 0.95 ± eV
Point Group Symmetry C1
Synonyms
  • (4r)-4-[(3s,8s,9s,10r,13r,14s,17r)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentanoic acid
  • (4r)-4-[(3s,8s,9s,10r,13r,14s,17r)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]valeric acid
  • 3beta-hydroxy-5-cholenic acid
  • 3beta-hydroxy-5-cholenoic acid
  • 3beta-hydroxy-chol-5-en-24-oic acid
  • 3beta-hydroxy-delta5-cholenic acid
  • 3beta-hydroxychol-5-en-24-oic acid
  • lmst04010201
CAS Number(s)
  • 5255-17-4
InChIKey HIAJCGFYHIANNA-QIZZZRFXSA-N
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