Found 33 results

Search term: MF = 'C_{32}H_{45}NO_{6}'
ChemSpider 2D Image | (5R,8S,10R,13R,14S,17S)-5,17-Dihydroxy-5',5',13-trimethyl-17-[3-(tetrahydro-2H-pyran-2-yloxy)-1-propyn-1-yl]-1,2,5,6,7,8,12,13,14,15,16,17-dodecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxane] -10(4H)-carbonitrile | C32H45NO6

(5R,8S,10R,13R,14S,17S)-5,17-Dihydroxy-5',5',13-trimethyl-17-[3-(tetrahydro-2H-pyran-2-yloxy)-1-propyn-1-yl]-1,2,5,6,7,8,12,13,14,15,16,17-dodecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxane] -10(4H)-carbonitrile

  • Molecular FormulaC32H45NO6
  • Average mass539.703 Da
  • Monoisotopic mass539.324707 Da
  • ChemSpider ID8567940

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(5R,8S,10R,13R,14S,17S)-5,17-Dihydroxy-5',5',13-trimethyl-17-[3-(tetrahydro-2H-pyran-2-yloxy)-1-propyn-1-yl]-1,2,5,6,7,8,12,13,14,15,16,17-dodecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxane] -10(4H)-carbonitrile [ACD/IUPAC Name]
Spiro[3H-cyclopenta[a]phenanthrene-3,2'-[1,3]dioxane]-10(4H)-carbonitrile, 1,2,5,6,7,8,12,13,14,15,16,17-dodecahydro-5,17-dihydroxy-5',5',13-trimethyl-17-[3-[(tetrahydro-2H-pyran-2-yl)oxy]-1-propyn-1- yl]-, (5R,8S,10R,13R,14S,17S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 717.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.8±6.0 kJ/mol
Flash Point: 387.7±32.9 °C
Index of Refraction: 1.590
Molar Refractivity: 145.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.68
ACD/LogD (pH 5.5): 4.04
ACD/BCF (pH 5.5): 693.11
ACD/KOC (pH 5.5): 3758.79
ACD/LogD (pH 7.4): 4.04
ACD/BCF (pH 7.4): 693.10
ACD/KOC (pH 7.4): 3758.75
Polar Surface Area: 101 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 58.4±5.0 dyne/cm
Molar Volume: 431.5±5.0 cm3

Click to predict properties on the Chemicalize site


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