(11β)-11,18,19,21-Tetrahydroxypregn-4-Ene-3,20-Dione

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Properties Simple | Detailed

Formula C21H30O6
IUPAC Name (8s,9s,10s,11s,13r,14s,17s)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-bis(hydroxymethyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 378.459 g·mol−1
Heat of Formation -1142.9 ± 16.7 kJ·mol−1
Dipole Moment 3.67 ± 1.08 D
Volume 446.64 Å 3
Surface Area 343.81 Å 2
HOMO Energy -10.16 ± 0.55 eV
LUMO Energy -0.49 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9s,10s,11s,13r,14s,17s)-11-hydroxy-10,13-bis(hydroxymethyl)-17-(2-hydroxy-1-oxoethyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • (8s,9s,10s,11s,13r,14s,17s)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-bis(hydroxymethyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • (8s,9s,10s,11s,13r,14s,17s)-11-hydroxy-17-(2-hydroxyethanoyl)-10,13-bis(hydroxymethyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • (8s,9s,10s,11s,13r,14s,17s)-17-glycoloyl-11-hydroxy-10,13-dimethylol-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • 18,19-dhco
  • 18,19-dihydroxycorticosterone
  • pregn-4-ene-3,20-dione, 11,18,19,21-tetrahydroxy-, (11beta)-
CAS Number(s)
  • 115288-31-8
InChIKey LRKLVKDUKYGITM-PUGGLORVSA-N
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