ChemSpider 2D Image | (3S,6aS,6bR,8aR,12aS,12bR,14aS,14bS)-4,4,6b,8a,11,11,12b,14a-Octamethyl-1,2,3,4,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydro-3-picenol | C30H50O

(3S,6aS,6bR,8aR,12aS,12bR,14aS,14bS)-4,4,6b,8a,11,11,12b,14a-Octamethyl-1,2,3,4,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydro-3-picenol

  • Molecular FormulaC30H50O
  • Average mass426.717 Da
  • Monoisotopic mass426.386169 Da
  • ChemSpider ID114816068

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3S,6aS,6bR,8aR,12aS,12bR,14aS,14bS)-4,4,6b,8a,11,11,12b,14a-Octamethyl-1,2,3,4,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydro-3-picenol [German] [ACD/IUPAC Name]
(3S,6aS,6bR,8aR,12aS,12bR,14aS,14bS)-4,4,6b,8a,11,11,12b,14a-Octamethyl-1,2,3,4,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydro-3-picenol [ACD/IUPAC Name]
(3S,6aS,6bR,8aR,12aS,12bR,14aS,14bS)-4,4,6b,8a,11,11,12b,14a-Octaméthyl-1,2,3,4,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydro-3-picénol [French] [ACD/IUPAC Name]
3-Picenol, 1,2,3,4,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-eicosahydro-4,4,6b,8a,11,11,12b,14a-octamethyl-, (3S,6aS,6bR,8aR,12aS,12bR,14aS,14bS)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 491.8±14.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 87.4±6.0 kJ/mol
Flash Point: 218.0±12.4 °C
Index of Refraction: 1.539
Molar Refractivity: 131.9±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 11.14
ACD/LogD (pH 5.5): 10.21
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 8582518.00
ACD/LogD (pH 7.4): 10.21
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 8582518.00
Polar Surface Area: 20 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 39.5±5.0 dyne/cm
Molar Volume: 420.8±5.0 cm3

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