ChemSpider 2D Image | (3beta,9xi)-3,17-Dihydroxy-4,4,8,10,14-pentamethylgona-11,13(17)-diene-15,16-dione | C22H30O4

(3β,9ξ)-3,17-Dihydroxy-4,4,8,10,14-pentamethylgona-11,13(17)-diene-15,16-dione

  • Molecular FormulaC22H30O4
  • Average mass358.471 Da
  • Monoisotopic mass358.214417 Da
  • ChemSpider ID24535088

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

(3β,9ξ)-3,17-Dihydroxy-4,4,8,10,14-pentamethylgona-11,13(17)-dien-15,16-dion [German] [ACD/IUPAC Name]
(3β,9ξ)-3,17-Dihydroxy-4,4,8,10,14-pentamethylgona-11,13(17)-diene-15,16-dione [ACD/IUPAC Name]
(3β,9ξ)-3,17-Dihydroxy-4,4,8,10,14-pentaméthylgona-11,13(17)-diène-15,16-dione [French] [ACD/IUPAC Name]
Gona-11,13(17)-diene-15,16-dione, 3,17-dihydroxy-4,4,8,10,14-pentamethyl-, (3β,9ξ)- [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: 508.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 89.7±6.0 kJ/mol
Flash Point: 275.4±26.6 °C
Index of Refraction: 1.586
Molar Refractivity: 98.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.35
ACD/LogD (pH 5.5): 3.00
ACD/BCF (pH 5.5): 110.91
ACD/KOC (pH 5.5): 995.74
ACD/LogD (pH 7.4): 2.26
ACD/BCF (pH 7.4): 20.28
ACD/KOC (pH 7.4): 182.12
Polar Surface Area: 75 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 51.3±5.0 dyne/cm
Molar Volume: 293.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement