24-Norcholan-23-Oic Acid, 3,7-Dihydroxy-, (3α,5Beta,7α)-

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Formula C23H38O4
IUPAC Name (3r)-3-[(3r,5s,7r,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 -1055.7 ± 16.7 kJ·mol−1
Dipole Moment 2.30 ± 1.08 D
Volume 484.94 Å 3
Surface Area 372.78 Å 2
HOMO Energy -9.96 ± 0.55 eV
LUMO Energy 0.94 ± eV
Point Group Symmetry C1
Synonyms
  • (3r)-3-[(3r,5s,7r,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,7r,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
InChIKey QYYDXDSPYPOWRO-AYTZMJRQSA-N
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