17,18,21-Trihydroxypregn-4-Ene-3,20-Dione

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Properties Simple | Detailed

Formula C21H30O5
IUPAC Name (8r,9s,10r,13s,14s,17r)-17-hydroxy-17-(2-hydroxyacetyl)-13-(hydroxymethyl)-10-methyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-one
Molecular Mass 362.460 g·mol−1
Heat of Formation -981.1 ± 16.7 kJ·mol−1
Dipole Moment 3.95 ± 1.08 D
Volume 436.98 Å 3
Surface Area 340.97 Å 2
HOMO Energy -9.86 ± 0.55 eV
LUMO Energy -0.10 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,10r,13s,14s,17r)-17-glycoloyl-17-hydroxy-10-methyl-13-methylol-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-one
  • (8r,9s,10r,13s,14s,17r)-17-hydroxy-13-(hydroxymethyl)-17-(2-hydroxy-1-oxoethyl)-10-methyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-one
  • (8r,9s,10r,13s,14s,17r)-17-hydroxy-17-(2-hydroxyacetyl)-13-(hydroxymethyl)-10-methyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-one
  • (8r,9s,10r,13s,14s,17r)-17-hydroxy-17-(2-hydroxyethanoyl)-13-(hydroxymethyl)-10-methyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-one
  • 18-hydroxy-11-deoxycortisol
  • pregn-4-ene-3,20-dione, 17,18,21-trihydroxy-
CAS Number(s)
  • 35121-42-7
InChIKey TXZGUJHXOGBBMR-OHXCOFTBSA-N
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