(3α,5Beta)-3-Hydroxy-7-Methylcholan-24-Oic Acid

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Formula C25H42O3
IUPAC Name (4r)-4-[(3r,5r,7r,8r,9s,10s,13r,14s,17r)-3-hydroxy-7,10,13-trimethyl-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 390.599 g·mol−1
Heat of Formation -907.2 ± 16.7 kJ·mol−1
Dipole Moment 2.50 ± 1.08 D
Volume 520.05 Å 3
Surface Area 396.05 Å 2
HOMO Energy -9.99 ± 0.55 eV
LUMO Energy 1.01 ± eV
Point Group Symmetry C1
Synonyms
  • (4r)-4-[(3r,5r,7r,8r,9s,10s,13r,14s,17r)-3-hydroxy-7,10,13-trimethyl-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,7r,8r,9s,10s,13r,14s,17r)-3-hydroxy-7,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]valeric acid
InChIKey VUKZWUYSEFVTRB-LADXHSAASA-N
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