5β-Chol-3-Ene-24-Oic Acid

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Properties Simple | Detailed

Formula C24H38O2
IUPAC Name (4r)-4-[(5r,8s,9s,10s,13r,14s,17r)-10,13-dimethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Molecular Mass 358.557 g·mol−1
Heat of Formation -618.3 ± 16.7 kJ·mol−1
Dipole Moment 2.18 ± 1.08 D
Volume 475.22 Å 3
Surface Area 373.03 Å 2
HOMO Energy -9.43 ± 0.55 eV
LUMO Energy 1.02 ± eV
Point Group Symmetry C1
Synonyms
  • (4r)-4-[(5r,8s,9s,10s,13r,14s,17r)-10,13-dimethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentanoic acid
  • (4r)-4-[(5r,8s,9s,10s,13r,14s,17r)-10,13-dimethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]valeric acid
  • 5beta-chol-3-en-24-oic acid
  • lmst04010263
InChIKey SXFVKYLIXKBAPY-LVVAJZGHSA-N
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