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Search term: 28945036 (Found by CSID)
ChemSpider 2D Image | (3S,6bS,8aR,12aR,12bS,14bS)-4,4,6b,8a,11,11,12b,14b-Octamethyl-1,2,3,4,4a,5,6,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14b-icosahydro-3-picenyl acetate | C32H52O2

(3S,6bS,8aR,12aR,12bS,14bS)-4,4,6b,8a,11,11,12b,14b-Octamethyl-1,2,3,4,4a,5,6,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14b-icosahydro-3-picenyl acetate

  • Molecular FormulaC32H52O2
  • Average mass468.754 Da
  • Monoisotopic mass468.396729 Da
  • ChemSpider ID28945036

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(3S,6bS,8aR,12aR,12bS,14bS)-4,4,6b,8a,11,11,12b,14b-Octamethyl-1,2,3,4,4a,5,6,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14b-icosahydro-3-picenyl acetate [ACD/IUPAC Name]
(3S,6bS,8aR,12aR,12bS,14bS)-4,4,6b,8a,11,11,12b,14b-Octamethyl-1,2,3,4,4a,5,6,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14b-icosahydro-3-picenyl-acetat [German] [ACD/IUPAC Name]
3-Picenol, 1,2,3,4,4a,5,6,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14b-eicosahydro-4,4,6b,8a,11,11,12b,14b-octamethyl-, acetate, (3S,6bS,8aR,12aR,12bS,14bS)- [ACD/Index Name]
Acétate de (3S,6bS,8aR,12aR,12bS,14bS)-4,4,6b,8a,11,11,12b,14b-octaméthyl-1,2,3,4,4a,5,6,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14b-icosahydro-3-picényle [French] [ACD/IUPAC Name]
(3S,6bS,8aR,12aR,12bS,14bS)-4,4,6b,8a,11,11,12b,14b-octamethyl-1,2,3,4,4a,5,6,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14b-icosahydropicen-3-yl acetate
(3S,6bS,8aR,12aR,12bS,14bS)-4,4,6b,8a,11,11,12b,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,13,14-tetradecahydropicen-3-yl acetate
Isomultiflorenyl acetate

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

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

Density: 1.0±0.1 g/cm3
Boiling Point: 505.6±49.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.5±3.0 kJ/mol
Flash Point: 256.5±17.4 °C
Index of Refraction: 1.529
Molar Refractivity: 141.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 12.06
ACD/LogD (pH 5.5): 11.43
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.43
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 26 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 38.7±5.0 dyne/cm
Molar Volume: 457.8±5.0 cm3

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