ChemSpider 2D Image | (8S,9S,13R,14S)-3-(Benzyloxy)-13-methyl-6,7,8,9,11,12,13,14,15,16-decahydrospiro[cyclopenta[a]phenanthrene-17,2'-[1,3]dioxolane] | C27H32O3

(8S,9S,13R,14S)-3-(Benzyloxy)-13-methyl-6,7,8,9,11,12,13,14,15,16-decahydrospiro[cyclopenta[a]phenanthrene-17,2'-[1,3]dioxolane]

  • Molecular FormulaC27H32O3
  • Average mass404.541 Da
  • Monoisotopic mass404.235138 Da
  • ChemSpider ID111310414

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(8S,9S,13R,14S)-3-(Benzyloxy)-13-methyl-6,7,8,9,11,12,13,14,15,16-decahydrospiro[cyclopenta[a]phenanthrene-17,2'-[1,3]dioxolane] [ACD/IUPAC Name]
Spiro[17H-cyclopenta[a]phenanthrene-17,2'-[1,3]dioxolane], 6,7,8,9,11,12,13,14,15,16-decahydro-13-methyl-3-(phenylmethoxy)-, (8S,9S,13R,14S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 549.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.9±3.0 kJ/mol
Flash Point: 189.6±27.4 °C
Index of Refraction: 1.612
Molar Refractivity: 117.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.45
ACD/LogD (pH 5.5): 5.55
ACD/BCF (pH 5.5): 9803.51
ACD/KOC (pH 5.5): 25039.18
ACD/LogD (pH 7.4): 5.55
ACD/BCF (pH 7.4): 9803.51
ACD/KOC (pH 7.4): 25039.18
Polar Surface Area: 28 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 50.5±5.0 dyne/cm
Molar Volume: 339.3±5.0 cm3

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