ChemSpider 2D Image | (1S,4aS,4bR,6S,6aS,7R,10aS,10bR,12aS)-8-Acetyl-1-ethyl-7-hydroxy-1,4a,6a,10b-tetramethyl-1,2,3,4,4a,4b,5,6,6a,7,10,10a,10b,11,12,12a-hexadecahydro-6-chrysenyl 4-methylpentanoate | C32H52O4

(1S,4aS,4bR,6S,6aS,7R,10aS,10bR,12aS)-8-Acetyl-1-ethyl-7-hydroxy-1,4a,6a,10b-tetramethyl-1,2,3,4,4a,4b,5,6,6a,7,10,10a,10b,11,12,12a-hexadecahydro-6-chrysenyl 4-methylpentanoate

  • Molecular FormulaC32H52O4
  • Average mass500.753 Da
  • Monoisotopic mass500.386566 Da
  • ChemSpider ID35516750

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1S,4aS,4bR,6S,6aS,7R,10aS,10bR,12aS)-8-Acetyl-1-ethyl-7-hydroxy-1,4a,6a,10b-tetramethyl-1,2,3,4,4a,4b,5,6,6a,7,10,10a,10b,11,12,12a-hexadecahydro-6-chrysenyl 4-methylpentanoate [ACD/IUPAC Name]
(1S,4aS,4bR,6S,6aS,7R,10aS,10bR,12aS)-8-Acetyl-1-ethyl-7-hydroxy-1,4a,6a,10b-tetramethyl-1,2,3,4,4a,4b,5,6,6a,7,10,10a,10b,11,12,12a-hexadecahydro-6-chrysenyl-4-methylpentanoat [German] [ACD/IUPAC Name]
4-Méthylpentanoate de (1S,4aS,4bR,6S,6aS,7R,10aS,10bR,12aS)-8-acétyl-1-éthyl-7-hydroxy-1,4a,6a,10b-tétraméthyl-1,2,3,4,4a,4b,5,6,6a,7,10,10a,10b,11,12,12a-hexadécahydro-6-chrysényle [French] [ACD/IUPAC Name]
Pentanoic acid, 4-methyl-, (1S,4aS,4bR,6S,6aS,7R,10aS,10bR,12aS)-8-acetyl-1-ethyl-1,2,3,4,4a,4b,5,6,6a,7,10,10a,10b,11,12,12a-hexadecahydro-7-hydroxy-1,4a,6a,10b-tetramethyl-6-chrysenyl ester [ACD/Index 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: 568.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.9±6.0 kJ/mol
Flash Point: 169.9±23.6 °C
Index of Refraction: 1.527
Molar Refractivity: 145.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 8.94
ACD/LogD (pH 5.5): 8.27
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 756416.19
ACD/LogD (pH 7.4): 8.27
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 756415.38
Polar Surface Area: 64 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 41.7±5.0 dyne/cm
Molar Volume: 471.8±5.0 cm3

Click to predict properties on the Chemicalize site


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