(3α,5α,7α,12α)-3,7,12-Trihydroxycholan-24-Yl Hydrogen Sulfate

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Formula C24H42O7S
IUPAC Name [(4r)-4-[(3r,5r,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]pentyl] hydrogen sulfate
Molecular Mass 474.651 g·mol−1
Heat of Formation -1579.3 ± 16.7 kJ·mol−1
Dipole Moment 7.29 ± 1.08 D
Volume 567.19 Å 3
Surface Area 442.71 Å 2
HOMO Energy -10.00 ± 0.55 eV
LUMO Energy -0.32 ± eV
Point Group Symmetry C1
Synonyms
  • 5alpha-cholan-3alpha,7alpha,12alpha-triol 24-sulfate
  • petromyzonol 24-sulfate
InChIKey BKZKSSHAWFCVDU-JLIFGLSWSA-N
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