20-Dihydrocortisone

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Properties Simple | Detailed

Formula C21H30O5
IUPAC Name (8s,9s,10r,13s,14s,17r)-17-[(1s)-1,2-dihydroxyethyl]-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione
Molecular Mass 362.460 g·mol−1
Heat of Formation -1009.8 ± 16.7 kJ·mol−1
Dipole Moment 7.65 ± 1.08 D
Volume 439.41 Å 3
Surface Area 341.94 Å 2
HOMO Energy -9.74 ± 0.55 eV
LUMO Energy -0.04 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9s,10r,13s,14s,17r)-17-[(1s)-1,2-dihydroxyethyl]-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione
  • (8s,9s,10r,13s,14s,17r)-17-[(1s)-1,2-dihydroxyethyl]-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-quinone
  • 17,20beta,21-trihydroxypregn-4-ene-3,11-dione
  • 4-pregnene-17alpha,20beta,21-triol-3,11-dione
  • pregn-4-ene-3,11-dione, 17,20,21-trihydroxy-
  • reichstein's substance u
CAS Number(s)
  • 3615-87-0
InChIKey XBIDABJJGYNJTK-VDUMFTQRSA-N
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