Cortolone

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Formula C21H34O5
IUPAC Name (3r,5r,8s,9s,10s,13s,14s,17r)-17-[(1s)-1,2-dihydroxyethyl]-3,17-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1h-cyclopenta[a]phenanthren-11-one
Molecular Mass 366.492 g·mol−1
Heat of Formation -1147.6 ± 16.7 kJ·mol−1
Dipole Moment 2.61 ± 1.08 D
Volume 449.59 Å 3
Surface Area 344.84 Å 2
HOMO Energy -9.85 ± 0.55 eV
LUMO Energy 0.72 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,5r,8s,9s,10s,13s,14s,17r)-17-[(1s)-1,2-dihydroxyethyl]-3,17-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1h-cyclopenta[a]phenanthren-11-one
  • .alpha.-cortolone
  • 20.alpha.-cortolone
  • 20alpha-cortolone
  • 3.alpha.,17.alpha.,20.alpha.,21-tetrahydroxy-5.beta.-pregnan-11-one
  • 3alpha,17alpha,20alpha,21-tetrahydroxy-5beta-pregnan-11-one
  • 5.beta.-pregnan-11-one, 3.alpha.,17,20.alpha.,21-tetrahydroxy-
  • 5.beta.-pregnane-3.alpha.,17,20.alpha.,21-tetrol-11-one
  • 5beta-pregnan-11-one, 3alpha,17,20alpha,21-tetrahydroxy- (8ci)
  • 5beta-pregnane-3alpha,17,20alpha,21-tetrol-11-one
  • cortolon
  • pregnan-11-one, 3,17,20,21-tetrahydroxy-, (3.alpha.,5.beta.,20s)-
  • pregnan-11-one, 3,17,20,21-tetrahydroxy-, (3alpha,5beta,20s)- (9ci)
CAS Number(s)
  • 516-42-7
InChIKey JXCOSKURGJMQSG-AZQJGLEESA-N
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