ChemSpider 2D Image | [(3R,3aR,5aR,5bS,7aS,10R,11S,11aS,13aS,13bR)-3,5a,5b,10,11,13b-Hexamethyl-7a-(methylcarbamoyl)-3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,13,13a,13b-hexadecahydro-3H-cyclopenta[a]chrysene-1,3-diyl]bis(methylen e) diacetate | C35H53NO5

[(3R,3aR,5aR,5bS,7aS,10R,11S,11aS,13aS,13bR)-3,5a,5b,10,11,13b-Hexamethyl-7a-(methylcarbamoyl)-3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,13,13a,13b-hexadecahydro-3H-cyclopenta[a]chrysene-1,3-diyl]bis(methylen e) diacetate

  • Molecular FormulaC35H53NO5
  • Average mass567.799 Da
  • Monoisotopic mass567.392395 Da
  • ChemSpider ID65009597

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

[(3R,3aR,5aR,5bS,7aS,10R,11S,11aS,13aS,13bR)-3,5a,5b,10,11,13b-Hexamethyl-7a-(methylcarbamoyl)-3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,13,13a,13b-hexadecahydro-3H-cyclopenta[a]chrysen-1,3-diyl]dimethylen-di acetat [German] [ACD/IUPAC Name]
[(3R,3aR,5aR,5bS,7aS,10R,11S,11aS,13aS,13bR)-3,5a,5b,10,11,13b-Hexamethyl-7a-(methylcarbamoyl)-3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,13,13a,13b-hexadecahydro-3H-cyclopenta[a]chrysene-1,3-diyl]bis(methylen e) diacetate [ACD/IUPAC Name]
7aH-Cyclopenta[a]chrysene-7a-carboxamide, 1,3-bis[(acetyloxy)methyl]-3,3a,4,5,5a,5b,6,7,8,9,10,11,11a,13,13a,13b-hexadecahydro-N,3,5a,5b,10,11,13b-heptamethyl-, (3R,3aR,5aR,5bS,7aS,10R,11S,11aS,13aS,1 3bR)- [ACD/Index Name]
Diacétate de [(3R,3aR,5aR,5bS,7aS,10R,11S,11aS,13aS,13bR)-3,5a,5b,10,11,13b-hexaméthyl-7a-(méthylcarbamoyl)-3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,13,13a,13b-hexadécahydro-3H-cyclopenta[a]chrysène-1,3-diyl ]diméthylène [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 640.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.6±3.0 kJ/mol
Flash Point: 341.4±31.5 °C
Index of Refraction: 1.546
Molar Refractivity: 160.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 7.97
ACD/LogD (pH 5.5): 7.78
ACD/BCF (pH 5.5): 486287.91
ACD/KOC (pH 5.5): 409496.19
ACD/LogD (pH 7.4): 7.78
ACD/BCF (pH 7.4): 486288.44
ACD/KOC (pH 7.4): 409496.63
Polar Surface Area: 82 Å2
Polarizability: 63.7±0.5 10-24cm3
Surface Tension: 44.3±5.0 dyne/cm
Molar Volume: 507.1±5.0 cm3

Click to predict properties on the Chemicalize site


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