ChemSpider 2D Image | (3S,8R,9S,10R,13S,14S,17S)-10,13-Dimethyl-1,2,3,4,7,8,9,10,11,12,13,14,15,16-tetradecahydrospiro[cyclopenta[a]phenanthrene-17,2'-oxiran]-3-ol | C20H30O2

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

  • Molecular FormulaC20H30O2
  • Average mass302.451 Da
  • Monoisotopic mass302.224579 Da
  • ChemSpider ID24661247
  • defined stereocentres - 7 of 7 defined stereocentres


More details:






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

(3S,8R,9S,10R,13S,14S,17S)-10,13-Dimethyl-1,2,3,4,7,8,9,10,11,12,13,14,15,16-tetradecahydrospiro[cyclopenta[a]phenanthrene-17,2'-oxiran]-3-ol [ACD/IUPAC Name]
Spiro[17H-cyclopenta[a]phenanthrene-17,2'-oxiran]-3-ol, 1,2,3,4,7,8,9,10,11,12,13,14,15,16-tetradecahydro-10,13-dimethyl-, (3S,8R,9S,10R,13S,14S,17S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 432.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 79.5±6.0 kJ/mol
Flash Point: 186.6±23.0 °C
Index of Refraction: 1.576
Molar Refractivity: 87.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.90
ACD/LogD (pH 5.5): 3.88
ACD/BCF (pH 5.5): 527.82
ACD/KOC (pH 5.5): 3092.84
ACD/LogD (pH 7.4): 3.88
ACD/BCF (pH 7.4): 527.82
ACD/KOC (pH 7.4): 3092.84
Polar Surface Area: 33 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 45.5±5.0 dyne/cm
Molar Volume: 264.0±5.0 cm3

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