ChemSpider 2D Image | 20beta-dihydrocortisone | C21H30O5

20β-dihydrocortisone

  • Molecular FormulaC21H30O5
  • Average mass362.460 Da
  • Monoisotopic mass362.209320 Da
  • ChemSpider ID28475370

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

Featured data source
The Merck Index Online

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(20R)-17,20,21-Trihydroxypregn-4-en-3,11-dion [German] [ACD/IUPAC Name]
(20R)-17,20,21-Trihydroxypregn-4-ene-3,11-dione [ACD/IUPAC Name]
(20R)-17,20,21-Trihydroxyprégn-4-ène-3,11-dione [French] [ACD/IUPAC Name]
116-59-6 [RN]
17α,20β,21-Trihydroxy-4-pregnene-3,11-dione
20β-dihydrocortisone
Pregn-4-ene-3,11-dione, 17,20,21-trihydroxy-, (20R)- [ACD/Index Name]
Reichstein's substance U
(8S,9S,10R,13S,14S,17R)-17-[(1R)-1,2-dihydroxyethyl]-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione
17,20,21-TRIHYDROXYPREGN-4-ENE-3,11-DIONE, (20R)-
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

T35G4D30OP [DBID]
UNII:T35G4D30OP [DBID]
UNII-T35G4D30OP [DBID]
  • Miscellaneous

    • Chemical Class:

      A C21-steroid that is cortisone in which the oxo group at position 20 is replaced by a hydroxy group. ChEBI CHEBI:178084

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 588.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.8±6.0 kJ/mol
Flash Point: 323.5±26.6 °C
Index of Refraction: 1.595
Molar Refractivity: 95.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.01
ACD/LogD (pH 5.5): 0.76
ACD/BCF (pH 5.5): 2.22
ACD/KOC (pH 5.5): 61.56
ACD/LogD (pH 7.4): 0.76
ACD/BCF (pH 7.4): 2.22
ACD/KOC (pH 7.4): 61.56
Polar Surface Area: 95 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 58.8±5.0 dyne/cm
Molar Volume: 281.4±5.0 cm3

Click to predict properties on the Chemicalize site


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