ChemSpider 2D Image | (6bS,8aS,12aR,12bS,14aR)-3-Hydroxy-4,6b,8a,11,12b,14a-hexamethyl-7,8,8a,9,12,12a,12b,13,14,14a-decahydro-2(6bH)-picenone | C28H36O2

(6bS,8aS,12aR,12bS,14aR)-3-Hydroxy-4,6b,8a,11,12b,14a-hexamethyl-7,8,8a,9,12,12a,12b,13,14,14a-decahydro-2(6bH)-picenone

  • Molecular FormulaC28H36O2
  • Average mass404.584 Da
  • Monoisotopic mass404.271515 Da
  • ChemSpider ID24677584
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

(6bS,8aS,12aR,12bS,14aR)-3-Hydroxy-4,6b,8a,11,12b,14a-hexamethyl-7,8,8a,9,12,12a,12b,13,14,14a-decahydro-2(6bH)-picenon [German] [ACD/IUPAC Name]
(6bS,8aS,12aR,12bS,14aR)-3-Hydroxy-4,6b,8a,11,12b,14a-hexamethyl-7,8,8a,9,12,12a,12b,13,14,14a-decahydro-2(6bH)-picenone [ACD/IUPAC Name]
(6bS,8aS,12aR,12bS,14aR)-3-Hydroxy-4,6b,8a,11,12b,14a-hexaméthyl-7,8,8a,9,12,12a,12b,13,14,14a-décahydro-2(6bH)-picénone [French] [ACD/IUPAC Name]
2(6bH)-Picenone, 7,8,8a,9,12,12a,12b,13,14,14a-decahydro-3-hydroxy-4,6b,8a,11,12b,14a-hexamethyl-, (6bS,8aS,12aR,12bS,14aR)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 574.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.9±6.0 kJ/mol
Flash Point: 240.8±22.7 °C
Index of Refraction: 1.599
Molar Refractivity: 121.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 8.23
ACD/LogD (pH 5.5): 7.69
ACD/BCF (pH 5.5): 414006.13
ACD/KOC (pH 5.5): 364859.53
ACD/LogD (pH 7.4): 7.67
ACD/BCF (pH 7.4): 389187.97
ACD/KOC (pH 7.4): 342987.53
Polar Surface Area: 37 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 46.0±5.0 dyne/cm
Molar Volume: 355.3±5.0 cm3

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