ChemSpider 2D Image | (13S,17R)-13-Methyl-17-(2-methyl-1,3-dioxolan-2-yl)-1,2,4,6,7,8,12,13,14,15,16,17-dodecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-17-ol | C24H34O5

(13S,17R)-13-Methyl-17-(2-methyl-1,3-dioxolan-2-yl)-1,2,4,6,7,8,12,13,14,15,16,17-dodecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-17-ol

  • Molecular FormulaC24H34O5
  • Average mass402.524 Da
  • Monoisotopic mass402.240631 Da
  • ChemSpider ID78433941

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(13S,17R)-13-Methyl-17-(2-methyl-1,3-dioxolan-2-yl)-1,2,4,6,7,8,12,13,14,15,16,17-dodecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-17-ol [ACD/IUPAC Name]
Spiro[3H-cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-17-ol, 1,2,4,6,7,8,12,13,14,15,16,17-dodecahydro-13-methyl-17-(2-methyl-1,3-dioxolan-2-yl)-, (13S,17R)- [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: 562.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.1±6.0 kJ/mol
Flash Point: 293.7±30.1 °C
Index of Refraction: 1.593
Molar Refractivity: 108.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.71
ACD/LogD (pH 5.5): 3.77
ACD/BCF (pH 5.5): 429.66
ACD/KOC (pH 5.5): 2669.29
ACD/LogD (pH 7.4): 3.77
ACD/BCF (pH 7.4): 429.66
ACD/KOC (pH 7.4): 2669.29
Polar Surface Area: 57 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 51.5±5.0 dyne/cm
Molar Volume: 320.3±5.0 cm3

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