ChemSpider 2D Image | (3a'R,5S,6a'R,8R,9S,10S,13R,14S,17R)-10,13-Dimethyl-17-[(2R)-6-methyl-2-heptanyl]tetracosahydrospiro[cyclopenta[a]phenanthrene-3,5'-dicyclopenta[d,e][1,3]dioxine] | C36H60O2

(3a'R,5S,6a'R,8R,9S,10S,13R,14S,17R)-10,13-Dimethyl-17-[(2R)-6-methyl-2-heptanyl]tetracosahydrospiro[cyclopenta[a]phenanthrene-3,5'-dicyclopenta[d,e][1,3]dioxine]

  • Molecular FormulaC36H60O2
  • Average mass524.860 Da
  • Monoisotopic mass524.459351 Da
  • ChemSpider ID8567531

  • defined stereocentres - 10 of 11 defined stereocentres

More details:

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

(3a'R,5S,6a'R,8R,9S,10S,13R,14S,17R)-10,13-Dimethyl-17-[(2R)-6-methyl-2-heptanyl]tetracosahydrospiro[cyclopenta[a]phenanthrene-3,5'-dicyclopenta[d,e][1,3]dioxine] [ACD/IUPAC Name]
Spiro[3H-cyclopenta[a]phenanthrene-3,5'-dicyclopenta[d,e][1,3]dioxin], 17-[(1R)-1,5-dimethylhexyl]tetracosahydro-10,13-dimethyl-, (3a'R,5S,6a'R,8R,9S,10S,13R,14S,17R)- [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: 591.1±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 84.9±3.0 kJ/mol
Flash Point: 357.1±18.2 °C
Index of Refraction: 1.539
Molar Refractivity: 157.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 12.44
ACD/LogD (pH 5.5): 10.96
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.96
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 18 Å2
Polarizability: 62.5±0.5 10-24cm3
Surface Tension: 40.9±5.0 dyne/cm
Molar Volume: 503.5±5.0 cm3

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