(3β,22R)-Cholest-5-Ene-3,20,22-Triol

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Properties Simple | Detailed

Formula C27H46O3
IUPAC Name (2r,3r)-2-[(3s,8s,9s,10r,13s,14s,17s)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]-6-methyl-heptane-2,3-diol
Molecular Mass 418.652 g·mol−1
Heat of Formation -889.0 ± 16.7 kJ·mol−1
Dipole Moment 3.33 ± 1.08 D
Volume 560.61 Å 3
Surface Area 433.92 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy 1.27 ± eV
Point Group Symmetry C1
Synonyms
  • (20r,22r)-20,22-dihydroxycholesterol
  • (22r)-20alpha,22-dihydroxycholesterol
  • (22r)-cholest-5-ene-3beta,20,22-triol
  • (2r,3r)-2-[(3s,8s,9s,10r,13s,14s,17s)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]-6-methyl-heptane-2,3-diol
  • (2r,3r)-2-[(3s,8s,9s,10r,13s,14s,17s)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]-6-methylheptane-2,3-diol
  • 20,22-dihydroxycholesterol
  • 20alpha,22beta-dihydroxycholesterol
  • 20alpha,22r-dihydroxycholesterol
  • cholest-5-ene-3,20,22-triol, (3beta,22r)-
CAS Number(s)
  • 596-94-1
  • 15234-55-6
InChIKey ISBSSBGEYIBVTO-TYKWNDPBSA-N
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