ChemSpider 2D Image | (2S,5'R,6'S,8'S,9'S,10'R,13'R,14'S,17'R)-5'-Hydroxy-10',13'-dimethyl-4,4''-bis(methylene)-17'-[(2R)-6-methyl-2-heptanyl]octadecahydro-2'H,5H,5''H-dispiro[furan-2,3'-cyclopenta[a]phenanthrene-6',2''-fu ran]-5,5''-dione | C35H52O5

(2S,5'R,6'S,8'S,9'S,10'R,13'R,14'S,17'R)-5'-Hydroxy-10',13'-dimethyl-4,4''-bis(methylene)-17'-[(2R)-6-methyl-2-heptanyl]octadecahydro-2'H,5H,5''H-dispiro[furan-2,3'-cyclopenta[a]phenanthrene-6',2''-fu ran]-5,5''-dione

  • Molecular FormulaC35H52O5
  • Average mass552.784 Da
  • Monoisotopic mass552.381470 Da
  • ChemSpider ID8920624

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2S,5'R,6'S,8'S,9'S,10'R,13'R,14'S,17'R)-5'-Hydroxy-10',13'-dimethyl-4,4''-bis(methylene)-17'-[(2R)-6-methyl-2-heptanyl]octadecahydro-2'H,5H,5''H-dispiro[furan-2,3'-cyclopenta[a]phenanthrene-6',2''-fu ran]-5,5''-dione [ACD/IUPAC Name]
Dispiro[furan-2(5H),3'-[3H]cyclopenta[a]phenanthrene-6'(2'H),2''(5''H)-furan]-5,5''-dione, 17'-[(1R)-1,5-dimethylhexyl]octadecahydro-5'-hydroxy-10',13'-dimethyl-4,4''-bis(methylene)-, (2S,5'R,6'S,8'S, 9'S,10'R,13'R,14'S,17'R)- [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: 693.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 116.2±6.0 kJ/mol
Flash Point: 214.7±25.0 °C
Index of Refraction: 1.556
Molar Refractivity: 156.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 8.38
ACD/LogD (pH 5.5): 8.05
ACD/BCF (pH 5.5): 770983.19
ACD/KOC (pH 5.5): 569529.88
ACD/LogD (pH 7.4): 8.05
ACD/BCF (pH 7.4): 770983.19
ACD/KOC (pH 7.4): 569529.88
Polar Surface Area: 73 Å2
Polarizability: 61.9±0.5 10-24cm3
Surface Tension: 45.7±5.0 dyne/cm
Molar Volume: 485.9±5.0 cm3

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