A-Cortol

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Properties Simple | Detailed

Formula C21H36O5
IUPAC Name (3r,5r,8s,9s,10s,11s,13s,14s,17r)-17-[(1s)-1,2-dihydroxyethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,11,17-triol
Molecular Mass 368.508 g·mol−1
Heat of Formation -1184.0 ± 16.7 kJ·mol−1
Dipole Moment 3.71 ± 1.08 D
Volume 454.23 Å 3
Surface Area 346.26 Å 2
HOMO Energy -9.98 ± 0.55 eV
LUMO Energy 2.02 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,5r,8s,9s,10s,11s,13s,14s,17r)-17-[(1s)-1,2-dihydroxyethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,11,17-triol
  • .alpha.-cortol
  • 20.alpha.-cortol
  • 20alpha-cortol
  • 3.alpha.,11.beta.,17,20.alpha.,21-pentahydroxypregnane
  • 3alpha,11beta,17,20alpha,21-pentahydroxypregnane
  • 5.beta.-pregnane-3.alpha.,11.beta.,17,20.alpha.,21-pentol
  • 5beta-pregnane-3alpha,11beta,17,20,21-pentol
  • pregnane-3,11,17,20,21-pentol, (3.alpha.,5.beta.,11.beta.,20s)-
  • pregnane-3,11,17,20,21-pentol, (3alpha,5beta,11beta,20s)-
CAS Number(s)
  • 516-38-1
InChIKey FFPUNPBUZDTHJI-XPOJVAQCSA-N
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