(11α,16α)-11,17,21-Trihydroxy-16-Methylpregn-4-Ene-3,20-Dione

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Formula C22H32O5
IUPAC Name (8s,9s,10r,11r,13s,14s,16r,17r)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-one
Molecular Mass 376.486 g·mol−1
Heat of Formation -1020.8 ± 16.7 kJ·mol−1
Dipole Moment 4.37 ± 1.08 D
Volume 459.41 Å 3
Surface Area 356.13 Å 2
HOMO Energy -9.71 ± 0.55 eV
LUMO Energy 0.02 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9s,10r,11r,13s,14s,16r,17r)-11,17-dihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13,16-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-one
  • (8s,9s,10r,11r,13s,14s,16r,17r)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-one
  • (8s,9s,10r,11r,13s,14s,16r,17r)-11,17-dihydroxy-17-(2-hydroxyethanoyl)-10,13,16-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-one
  • (8s,9s,10r,11r,13s,14s,16r,17r)-17-glycoloyl-11,17-dihydroxy-10,13,16-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-one
InChIKey ZCAYUOKEIPMTMF-JPDWDDBRSA-N
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