ChemSpider 2D Image | (8R,9S,10R,14S,17R)-10,13-Dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)-1,2,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-17-ol | C25H38O5

(8R,9S,10R,14S,17R)-10,13-Dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)-1,2,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-17-ol

  • Molecular FormulaC25H38O5
  • Average mass418.566 Da
  • Monoisotopic mass418.271912 Da
  • ChemSpider ID58817062
  • defined stereocentres - 5 of 6 defined stereocentres


More details:






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

(8R,9S,10R,14S,17R)-10,13-Dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)-1,2,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrospiro[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, 1,2,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-10,13-dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)-, (8R,9S,10R,14S,17R)- [ACD/Index Name]
3386-00-3 [RN]
Pregn-5-ene-3,20-dione,17-hydroxy-, cyclic bis(1,2-ethanediyl acetal) (9CI)

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 535.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.4±6.0 kJ/mol
Flash Point: 277.6±30.1 °C
Index of Refraction: 1.574
Molar Refractivity: 113.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.20
ACD/LogD (pH 5.5): 4.11
ACD/BCF (pH 5.5): 782.81
ACD/KOC (pH 5.5): 4100.90
ACD/LogD (pH 7.4): 4.11
ACD/BCF (pH 7.4): 782.81
ACD/KOC (pH 7.4): 4100.90
Polar Surface Area: 57 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 49.2±5.0 dyne/cm
Molar Volume: 344.4±5.0 cm3

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