ChemSpider 2D Image | (3aR,5aS,5bS,7aR,11aR,11bS)-3a,5a,5b,8,8,11a-Hexamethyl-2,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13-octadecahydro-1H-cyclopenta[a]chrysene | C27H44

(3aR,5aS,5bS,7aR,11aR,11bS)-3a,5a,5b,8,8,11a-Hexamethyl-2,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13-octadecahydro-1H-cyclopenta[a]chrysene

  • Molecular FormulaC27H44
  • Average mass368.638 Da
  • Monoisotopic mass368.344299 Da
  • ChemSpider ID26563761

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3aR,5aS,5bS,7aR,11aR,11bS)-3a,5a,5b,8,8,11a-Hexamethyl-2,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13-octadecahydro-1H-cyclopenta[a]chrysen [German] [ACD/IUPAC Name]
(3aR,5aS,5bS,7aR,11aR,11bS)-3a,5a,5b,8,8,11a-Hexamethyl-2,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13-octadecahydro-1H-cyclopenta[a]chrysene [ACD/IUPAC Name]
(3aR,5aS,5bS,7aR,11aR,11bS)-3a,5a,5b,8,8,11a-Hexaméthyl-2,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13-octadécahydro-1H-cyclopenta[a]chrysène [French] [ACD/IUPAC Name]
1H-Cyclopenta[a]chrysene, 2,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13-octadecahydro-3a,5a,5b,8,8,11a-hexamethyl-, (3aR,5aS,5bS,7aR,11aR,11bS)- [ACD/Index Name]
63543-60-2 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 431.9±12.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 66.1±0.8 kJ/mol
Flash Point: 211.3±14.4 °C
Index of Refraction: 1.535
Molar Refractivity: 116.3±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 11.54
ACD/LogD (pH 5.5): 10.11
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 7510445.00
ACD/LogD (pH 7.4): 10.11
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 7510445.00
Polar Surface Area: 0 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 37.1±5.0 dyne/cm
Molar Volume: 373.4±5.0 cm3

Click to predict properties on the Chemicalize site


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