ChemSpider 2D Image | 1,16,25-Trihydroxy-9,10,14-trimethyl-20,24-epoxy-4,9-cyclo-9,10-secocholest-5-ene-11,22-dione | C30H46O6

1,16,25-Trihydroxy-9,10,14-trimethyl-20,24-epoxy-4,9-cyclo-9,10-secocholest-5-ene-11,22-dione

  • Molecular FormulaC30H46O6
  • Average mass502.683 Da
  • Monoisotopic mass502.329437 Da
  • ChemSpider ID304278

More details:

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

1,16,25-Trihydroxy-9,10,14-trimethyl-20,24-epoxy-4,9-cyclo-9,10-secocholest-5-en-11,22-dion [German] [ACD/IUPAC Name]
1,16,25-Trihydroxy-9,10,14-trimethyl-20,24-epoxy-4,9-cyclo-9,10-secocholest-5-ene-11,22-dione [ACD/IUPAC Name]
1,16,25-Trihydroxy-9,10,14-triméthyl-20,24-époxy-4,9-cyclo-9,10-sécocholest-5-ène-11,22-dione [French] [ACD/IUPAC Name]
Estr-5-en-11-one, 3,16-dihydroxy-4,4,9,14-tetramethyl-17-[tetrahydro-5-(1-hydroxy-1-methylethyl)-2-methyl-3-oxo-2-furanyl]- [ACD/Index Name]
2-(3,16-dihydroxy-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-3-one
82145-62-8 [RN]
Picfeltarraegenin II

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

NCI60_003659 [DBID]
NSC382610 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 637.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 107.9±6.0 kJ/mol
Flash Point: 202.1±25.0 °C
Index of Refraction: 1.572
Molar Refractivity: 136.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 3.11
ACD/LogD (pH 5.5): 3.17
ACD/BCF (pH 5.5): 151.50
ACD/KOC (pH 5.5): 1265.76
ACD/LogD (pH 7.4): 3.17
ACD/BCF (pH 7.4): 151.50
ACD/KOC (pH 7.4): 1265.76
Polar Surface Area: 104 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 51.6±5.0 dyne/cm
Molar Volume: 416.1±5.0 cm3

Click to predict properties on the Chemicalize site


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