(3α,5Beta)-3,18,21-Trihydroxypregnane-11,20-Dione

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Properties Simple | Detailed

Formula C21H32O5
IUPAC Name (3r,5r,8s,9s,10s,13r,14s,17s)-3-hydroxy-17-(2-hydroxyacetyl)-13-(hydroxymethyl)-10-methyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one
Molecular Mass 364.476 g·mol−1
Heat of Formation -1065.3 ± 16.7 kJ·mol−1
Dipole Moment 6.00 ± 1.08 D
Volume 445.04 Å 3
Surface Area 342.17 Å 2
HOMO Energy -9.85 ± 0.55 eV
LUMO Energy 0.61 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,5r,8s,9s,10s,13r,14s,17s)-17-glycoloyl-3-hydroxy-10-methyl-13-methylol-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one
  • (3r,5r,8s,9s,10s,13r,14s,17s)-3-hydroxy-13-(hydroxymethyl)-17-(2-hydroxy-1-oxoethyl)-10-methyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one
  • (3r,5r,8s,9s,10s,13r,14s,17s)-3-hydroxy-17-(2-hydroxyacetyl)-13-(hydroxymethyl)-10-methyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one
  • (3r,5r,8s,9s,10s,13r,14s,17s)-3-hydroxy-17-(2-hydroxyethanoyl)-13-(hydroxymethyl)-10-methyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one
  • 18-hydroxy-11-dehydrotetrahydrocorticosterone
  • 18-hydroxytetrahydro-11-dehydrocorticosterone
  • htdhc
  • pregnane-11,20-dione, 3,18,21-trihydroxy-, (3alpha,5beta)-
CAS Number(s)
  • 7050-24-0
InChIKey UQRPWWKJWZFNAE-GMPOBFAFSA-N
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