ChemSpider 2D Image | (5S,8R,9S,10S,13R,14S,17R)-2',7'-Dimethoxy-10,13-dimethyl-17-[(2R)-6-methyl-2-heptanyl]-1,2,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydrospiro[cyclopenta[a]phenanthrene-3,9'-fluorene] | C41H58O2

(5S,8R,9S,10S,13R,14S,17R)-2',7'-Dimethoxy-10,13-dimethyl-17-[(2R)-6-methyl-2-heptanyl]-1,2,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydrospiro[cyclopenta[a]phenanthrene-3,9'-fluorene]

  • Molecular FormulaC41H58O2
  • Average mass582.898 Da
  • Monoisotopic mass582.443665 Da
  • ChemSpider ID17268690

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(5S,8R,9S,10S,13R,14S,17R)-2',7'-Dimethoxy-10,13-dimethyl-17-[(2R)-6-methyl-2-heptanyl]-1,2,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydrospiro[cyclopenta[a]phenanthrene-3,9'-fluorene] [ACD/IUPAC Name]
Spiro[3H-cyclopenta[a]phenanthrene-3,9'-[9H]fluorene], 17-[(1R)-1,5-dimethylhexyl]-1,2,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-2',7'-dimethoxy-10,13-dimethyl-, (5S,8R,9S,10S,13R,14S,17R)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 664.5±48.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.2±3.0 kJ/mol
Flash Point: 183.5±29.1 °C
Index of Refraction: 1.575
Molar Refractivity: 178.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 14.95
ACD/LogD (pH 5.5): 13.51
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.51
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 18 Å2
Polarizability: 70.9±0.5 10-24cm3
Surface Tension: 44.7±5.0 dyne/cm
Molar Volume: 541.6±5.0 cm3

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