ChemSpider 2D Image | (6bS,8aS,11R,12aR,12bS,14aR)-4,6b,8a,11,12b,14a-Hexamethyl-5,10-dioxo-5,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a-tetradecahydropicene-2,3-diyl diacetate | C32H40O6

(6bS,8aS,11R,12aR,12bS,14aR)-4,6b,8a,11,12b,14a-Hexamethyl-5,10-dioxo-5,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a-tetradecahydropicene-2,3-diyl diacetate

  • Molecular FormulaC32H40O6
  • Average mass520.656 Da
  • Monoisotopic mass520.282471 Da
  • ChemSpider ID8919867

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(6bS,8aS,11R,12aR,12bS,14aR)-4,6b,8a,11,12b,14a-Hexamethyl-5,10-dioxo-5,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a-tetradecahydropicen-2,3-diyl-diacetat [German] [ACD/IUPAC Name]
(6bS,8aS,11R,12aR,12bS,14aR)-4,6b,8a,11,12b,14a-Hexamethyl-5,10-dioxo-5,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a-tetradecahydropicene-2,3-diyl diacetate [ACD/IUPAC Name]
3,8(2H,4H)-Picenedione, 10,11-bis(acetyloxy)-1,4a,5,6,6a,12b,13,14,14a,14b-decahydro-2,4a,6a,9,12b,14a-hexamethyl-, (2R,4aS,6aS,12bR,14aS,14bR)- [ACD/Index Name]
Diacétate de (6bS,8aS,11R,12aR,12bS,14aR)-4,6b,8a,11,12b,14a-hexaméthyl-5,10-dioxo-5,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a-tétradécahydropicène-2,3-diyle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 638.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.3±3.0 kJ/mol
Flash Point: 267.4±31.5 °C
Index of Refraction: 1.575
Molar Refractivity: 142.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 5.41
ACD/LogD (pH 5.5): 6.01
ACD/BCF (pH 5.5): 21917.63
ACD/KOC (pH 5.5): 44537.52
ACD/LogD (pH 7.4): 6.01
ACD/BCF (pH 7.4): 21917.63
ACD/KOC (pH 7.4): 44537.52
Polar Surface Area: 87 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 49.8±5.0 dyne/cm
Molar Volume: 431.6±5.0 cm3

Click to predict properties on the Chemicalize site


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