ChemSpider 2D Image | (3bR,7aR,7bS,8R,11aR,11bS)-11a,11b-Dimethyl-3-[(2R)-6-methyl(2-~2~H)-2-heptanyl]-2,3b,4,5,6,7,7a,7b,8,9,10,11,11a,11b-tetradecahydro-1H-cyclopenta[l]phenanthren-8-ol | C27H45DO

(3bR,7aR,7bS,8R,11aR,11bS)-11a,11b-Dimethyl-3-[(2R)-6-methyl(2-2H)-2-heptanyl]-2,3b,4,5,6,7,7a,7b,8,9,10,11,11a,11b-tetradecahydro-1H-cyclopenta[l]phenanthren-8-ol

  • Molecular FormulaC27H45DO
  • Average mass387.660 Da
  • Monoisotopic mass387.361145 Da
  • ChemSpider ID9924251

  • defined stereocentres - 7 of 7 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3bR,7aR,7bS,8R,11aR,11bS)-11a,11b-Dimethyl-3-[(2R)-6-methyl(2-2H)-2-heptanyl]-2,3b,4,5,6,7,7a,7b,8,9,10,11,11a,11b-tetradecahydro-1H-cyclopenta[l]phenanthren-8-ol [ACD/IUPAC Name]
(3bR,7aR,7bS,8R,11aR,11bS)-11a,11b-Dimethyl-3-[(2R)-6-methyl(2-2H)-2-heptanyl]-2,3b,4,5,6,7,7a,7b,8,9,10,11,11a,11b-tetradecahydro-1H-cyclopenta[l]phenanthren-8-ol [German] [ACD/IUPAC Name]
(3bR,7aR,7bS,8R,11aR,11bS)-11a,11b-Diméthyl-3-[(2R)-6-méthyl(2-2H)-2-heptanyl]-2,3b,4,5,6,7,7a,7b,8,9,10,11,11a,11b-tétradécahydro-1H-cyclopenta[l]phénanthrén-8-ol [French] [ACD/IUPAC Name]
1H-Cyclopenta[l]phenanthren-8-ol, 3-[(1R)-1,5-dimethylhexyl-1-d]-2,3b,4,5,6,7,7a,7b,8,9,10,11,11a,11b-tetradecahydro-11a,11b-dimethyl-, (3bR,7aR,7bS,8R,11aR,11bS)- [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: 477.9±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 85.5±6.0 kJ/mol
Flash Point: 208.5±17.9 °C
Index of Refraction: 1.525
Molar Refractivity: 119.8±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 9.86
ACD/LogD (pH 5.5): 9.36
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2949497.50
ACD/LogD (pH 7.4): 9.36
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2949497.50
Polar Surface Area: 20 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 38.2±5.0 dyne/cm
Molar Volume: 390.7±5.0 cm3

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