ChemSpider 2D Image | (2E)-1-(2,5-Dihydroxyphenyl)-5-(1,2-dihydroxy-2-propanyl)-3-[(3E,7E)-9-hydroxy-4,8-dimethyl-3,7-nonadien-1-yl]-8-(4,4,10,13,14-pentamethyl-3-oxo-2,3,4,5,6,10,12,13,14,15,16,17-dodecahydro-1H-cyclopent a[a]phenanthren-17-yl)-2-nonene-1,4-dione (non-preferred name) | C51H72O8

(2E)-1-(2,5-Dihydroxyphenyl)-5-(1,2-dihydroxy-2-propanyl)-3-[(3E,7E)-9-hydroxy-4,8-dimethyl-3,7-nonadien-1-yl]-8-(4,4,10,13,14-pentamethyl-3-oxo-2,3,4,5,6,10,12,13,14,15,16,17-dodecahydro-1H-cyclopent a[a]phenanthren-17-yl)-2-nonene-1,4-dione (non-preferred name)

  • Molecular FormulaC51H72O8
  • Average mass813.113 Da
  • Monoisotopic mass812.522705 Da
  • ChemSpider ID78444280

More details:

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

(2E)-1-(2,5-Dihydroxyphenyl)-5-(1,2-dihydroxy-2-propanyl)-3-[(3E,7E)-9-hydroxy-4,8-dimethyl-3,7-nonadien-1-yl]-8-(4,4,10,13,14-pentamethyl-3-oxo-2,3,4,5,6,10,12,13,14,15,16,17-dodecahydro-1H-cyclopent a[a]phenanthren-17-yl)-2-nonen-1,4-dion (non-preferred name) [German] [ACD/IUPAC Name]
(2E)-1-(2,5-Dihydroxyphenyl)-5-(1,2-dihydroxy-2-propanyl)-3-[(3E,7E)-9-hydroxy-4,8-dimethyl-3,7-nonadien-1-yl]-8-(4,4,10,13,14-pentamethyl-3-oxo-2,3,4,5,6,10,12,13,14,15,16,17-dodecahydro-1H-cyclopent a[a]phenanthren-17-yl)-2-nonene-1,4-dione (non-preferred name) [ACD/IUPAC Name]
(2E)-1-(2,5-Dihydroxyphényl)-5-(1,2-dihydroxy-2-propanyl)-3-[(3E,7E)-9-hydroxy-4,8-diméthyl-3,7-nonadién-1-yl]-8-(4,4,10,13,14-pentaméthyl-3-oxo-2,3,4,5,6,10,12,13,14,15,16,17-dodécahydro-1H-cyclopent a[a]phénanthrén-17-yl)-2-nonène-1,4-dione (non-preferred name) [French] [ACD/IUPAC Name]
Ganosinensin B

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

Density: 1.2±0.1 g/cm3
Boiling Point: 926.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.2±3.0 kJ/mol
Flash Point: 528.0±30.8 °C
Index of Refraction: 1.593
Molar Refractivity: 233.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 10.45
ACD/LogD (pH 5.5): 9.68
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4363642.50
ACD/LogD (pH 7.4): 9.60
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3665048.75
Polar Surface Area: 152 Å2
Polarizability: 92.5±0.5 10-24cm3
Surface Tension: 55.4±5.0 dyne/cm
Molar Volume: 688.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement