ChemSpider 2D Image | (3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4-Acetamido-4,6a,6b,8a,11,12,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydro-3-picenyl acetate | C33H53NO3

(3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4-Acetamido-4,6a,6b,8a,11,12,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydro-3-picenyl acetate

  • Molecular FormulaC33H53NO3
  • Average mass511.779 Da
  • Monoisotopic mass511.402557 Da
  • ChemSpider ID23296518

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4-(acetylamino)-4,6a,6b,8a,11,12,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl acetate
(3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4-Acetamido-4,6a,6b,8a,11,12,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydro-3-picenyl acetate [ACD/IUPAC Name]
(3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4-Acetamido-4,6a,6b,8a,11,12,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydro-3-picenyl-acetat [German] [ACD/IUPAC Name]
Acetamide, N-[(3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-3-(acetyloxy)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-eicosahydro-4,6a,6b,8a,11,12,14b-heptamethyl-4-picenyl]- [ACD/Index Name]
Acétate de (3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4-acétamido-4,6a,6b,8a,11,12,14b-heptaméthyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydro-3-picényle [French] [ACD/IUPAC Name]
(3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4-acetamido-4,6a,6b,8a,11,12,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl acetate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 595.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.7±3.0 kJ/mol
Flash Point: 314.0±30.1 °C
Index of Refraction: 1.537
Molar Refractivity: 149.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 9.51
ACD/LogD (pH 5.5): 9.12
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2180228.00
ACD/LogD (pH 7.4): 9.12
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2180228.00
Polar Surface Area: 55 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 41.4±5.0 dyne/cm
Molar Volume: 479.7±5.0 cm3

Click to predict properties on the Chemicalize site


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