11B,18,21-Trihydroxy-Pregn-4-Ene-3,20-Dione

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Properties Simple | Detailed

Formula C21H30O5
IUPAC Name (8s,9s,10r,11s,13r,14s,17s)-11-hydroxy-17-(2-hydroxyacetyl)-13-(hydroxymethyl)-10-methyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 362.460 g·mol−1
Heat of Formation -984.5 ± 16.7 kJ·mol−1
Dipole Moment 3.04 ± 1.08 D
Volume 435.21 Å 3
Surface Area 338.37 Å 2
HOMO Energy -10.03 ± 0.55 eV
LUMO Energy -0.27 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9s,10r,11s,13r,14s,17s)-11-hydroxy-13-(hydroxymethyl)-17-(2-hydroxy-1-oxoethyl)-10-methyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • (8s,9s,10r,11s,13r,14s,17s)-11-hydroxy-17-(2-hydroxyacetyl)-13-(hydroxymethyl)-10-methyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • (8s,9s,10r,11s,13r,14s,17s)-11-hydroxy-17-(2-hydroxyethanoyl)-13-(hydroxymethyl)-10-methyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • (8s,9s,10r,11s,13r,14s,17s)-17-glycoloyl-11-hydroxy-10-methyl-13-methylol-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • 11beta,18,21-trihydroxy-pregn-4-ene-3,20-dione
  • 11beta,18,21-trihydroxypregn-4-ene-3,20-dione
  • 18-hydroxycorticosterone
  • lmst02030091
  • pregn-4-ene-3,20-dione, 11,18,21-trihydroxy-, (11beta)-
CAS Number(s)
  • 561-65-9
InChIKey HFSXHZZDNDGLQN-ZVIOFETBSA-N
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