ChemSpider 2D Image | 11?,16?,17?,21-tetrahydroxypregna-4-ene-3,20-dione-16,17-acetonide 21-acetate | C26H36O7

11?,16?,17?,21-tetrahydroxypregna-4-ene-3,20-dione-16,17-acetonide 21-acetate

  • Molecular FormulaC26H36O7
  • Average mass460.560 Da
  • Monoisotopic mass460.246094 Da
  • ChemSpider ID52084896

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

11?,16?,17?,21-tetrahydroxypregna-4-ene-3,20-dione-16,17-acetonide 21-acetate
2-[(4aR,4bS,6aS,6bS,9aR,10aS,10bS)-5-Hydroxy-4a,6a,8,8-tetramethyl-2-oxo-2,3,4,4a,4b,5,6,6a,9a,10,10a,10b,11,12-tetradecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]-2-oxoethyl acetate [ACD/IUPAC Name]
2-[(4aR,4bS,6aS,6bS,9aR,10aS,10bS)-5-Hydroxy-4a,6a,8,8-tetramethyl-2-oxo-2,3,4,4a,4b,5,6,6a,9a,10,10a,10b,11,12-tetradecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]-2-oxoethyl-acetat [German] [ACD/IUPAC Name]
246-610-2 [EINECS]
25092-24-4 [RN]
2H-Naphth[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one, 6b-[2-(acetyloxy)acetyl]-3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-tetradecahydro-5-hydroxy-4a,6a,8,8-tetramethyl-, (4aR,4bS,6aS,6bS,9aR,10aS,10bS)- [ACD/Index Name]
Acétate de 2-[(4aR,4bS,6aS,6bS,9aR,10aS,10bS)-5-hydroxy-4a,6a,8,8-tétraméthyl-2-oxo-2,3,4,4a,4b,5,6,6a,9a,10,10a,10b,11,12-tétradécahydro-6bH-naphto[2',1':4,5]indéno[1,2-d][1,3]dioxol-6b-yl]-2-oxoéthy le [French] [ACD/IUPAC Name]
11β,16α,17α,21-TETRAHYDROXYPREGNA-4-ENE-3,20-DIONE-16,17-ACETONIDE 21-ACETATE

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

5FP3UA652T [DBID]
UNII:5FP3UA652T [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 589.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.0±6.0 kJ/mol
Flash Point: 193.9±23.6 °C
Index of Refraction: 1.566
Molar Refractivity: 118.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.66
ACD/LogD (pH 5.5): 3.39
ACD/BCF (pH 5.5): 221.31
ACD/KOC (pH 5.5): 1660.21
ACD/LogD (pH 7.4): 3.39
ACD/BCF (pH 7.4): 221.31
ACD/KOC (pH 7.4): 1660.21
Polar Surface Area: 99 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 51.5±5.0 dyne/cm
Molar Volume: 364.6±5.0 cm3

Click to predict properties on the Chemicalize site


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