24-Norcholan-23-Oic Acid, 3,7,12-Trihydroxy-, (3α,5Beta,7α,12α)-

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Formula C23H38O5
IUPAC Name (3r)-3-[(3r,5s,7r,8r,9s,10s,12s,13r,14s,17r)-3,7,12-trihydroxy-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 394.545 g·mol−1
Heat of Formation -1242.1 ± 16.7 kJ·mol−1
Dipole Moment 4.08 ± 1.08 D
Volume 495.34 Å 3
Surface Area 374.07 Å 2
HOMO Energy -10.06 ± 0.55 eV
LUMO Energy 1.06 ± eV
Point Group Symmetry C1
Synonyms
  • (3r)-3-[(3r,5s,7r,8r,9s,10s,12s,13r,14s,17r)-3,7,12-trihydroxy-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,12s,13r,14s,17r)-3,7,12-trihydroxy-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 SHUYNJFEXPRUGR-RTCCEZQESA-N
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