17,18,21-Trihydroxy-4-Pregnene-3,11,20-Trione

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Properties Simple | Detailed

Formula C21H28O6
IUPAC Name (8s,9s,10r,13s,14s,17r)-17-hydroxy-17-(2-hydroxyacetyl)-13-(hydroxymethyl)-10-methyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione
Molecular Mass 376.443 g·mol−1
Heat of Formation -1108.1 ± 16.7 kJ·mol−1
Dipole Moment 5.92 ± 1.08 D
Volume 441.19 Å 3
Surface Area 342.73 Å 2
HOMO Energy -9.81 ± 0.55 eV
LUMO Energy -0.14 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9s,10r,13s,14s,17r)-17-glycoloyl-17-hydroxy-10-methyl-13-methylol-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-quinone
  • (8s,9s,10r,13s,14s,17r)-17-hydroxy-13-(hydroxymethyl)-17-(2-hydroxy-1-oxoethyl)-10-methyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione
  • (8s,9s,10r,13s,14s,17r)-17-hydroxy-17-(2-hydroxyacetyl)-13-(hydroxymethyl)-10-methyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione
  • (8s,9s,10r,13s,14s,17r)-17-hydroxy-17-(2-hydroxyethanoyl)-13-(hydroxymethyl)-10-methyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione
  • 18-hydroxycortisone
CAS Number(s)
  • 96737-55-2
InChIKey FPYGQPQXGSIDSF-RBWSHPMZSA-N
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