ChemSpider 2D Image | (1S,4aS,4bR,6S,6aR,9R,10aS,10bR,12aS)-9-Acetoxy-8-acetyl-1-ethyl-1,4a,6a,10b-tetramethyl-1,2,3,4,4a,4b,5,6,6a,9,10,10a,10b,11,12,12a-hexadecahydro-6-chrysenyl 4-methylpentanoate | C34H54O5

(1S,4aS,4bR,6S,6aR,9R,10aS,10bR,12aS)-9-Acetoxy-8-acetyl-1-ethyl-1,4a,6a,10b-tetramethyl-1,2,3,4,4a,4b,5,6,6a,9,10,10a,10b,11,12,12a-hexadecahydro-6-chrysenyl 4-methylpentanoate

  • Molecular FormulaC34H54O5
  • Average mass542.790 Da
  • Monoisotopic mass542.397095 Da
  • ChemSpider ID35516752

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1S,4aS,4bR,6S,6aR,9R,10aS,10bR,12aS)-9-Acetoxy-8-acetyl-1-ethyl-1,4a,6a,10b-tetramethyl-1,2,3,4,4a,4b,5,6,6a,9,10,10a,10b,11,12,12a-hexadecahydro-6-chrysenyl 4-methylpentanoate [ACD/IUPAC Name]
(1S,4aS,4bR,6S,6aR,9R,10aS,10bR,12aS)-9-Acetoxy-8-acetyl-1-ethyl-1,4a,6a,10b-tetramethyl-1,2,3,4,4a,4b,5,6,6a,9,10,10a,10b,11,12,12a-hexadecahydro-6-chrysenyl-4-methylpentanoat [German] [ACD/IUPAC Name]
4-Méthylpentanoate de (1S,4aS,4bR,6S,6aR,9R,10aS,10bR,12aS)-9-acétoxy-8-acétyl-1-éthyl-1,4a,6a,10b-tétraméthyl-1,2,3,4,4a,4b,5,6,6a,9,10,10a,10b,11,12,12a-hexadécahydro-6-chrysényle [French] [ACD/IUPAC Name]
Pentanoic acid, 4-methyl-, (1S,4aS,4bR,6S,6aR,9R,10aS,10bR,12aS)-8-acetyl-9-(acetyloxy)-1-ethyl-1,2,3,4,4a,4b,5,6,6a,9,10,10a,10b,11,12,12a-hexadecahydro-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: 581.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.0±3.0 kJ/mol
Flash Point: 238.1±30.2 °C
Index of Refraction: 1.519
Molar Refractivity: 154.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 9.81
ACD/LogD (pH 5.5): 9.18
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2333122.50
ACD/LogD (pH 7.4): 9.18
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2333122.50
Polar Surface Area: 70 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 40.8±5.0 dyne/cm
Molar Volume: 509.4±5.0 cm3

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