ChemSpider 2D Image | (4S,7S,8Z,10Z,12R,12aS,14aS,18S,18aR,18bR)-2,2-Dichloro-4,7,12,16,18-pentamethyl-7,12,12a,14a,15,18,18a,18b-octahydro-1H-naphtho[1,2-g]oxacyclotetradecine-1,3,5(2H,4H)-trione | C26H32Cl2O4

(4S,7S,8Z,10Z,12R,12aS,14aS,18S,18aR,18bR)-2,2-Dichloro-4,7,12,16,18-pentamethyl-7,12,12a,14a,15,18,18a,18b-octahydro-1H-naphtho[1,2-g]oxacyclotetradecine-1,3,5(2H,4H)-trione

  • Molecular FormulaC26H32Cl2O4
  • Average mass479.436 Da
  • Monoisotopic mass478.167755 Da
  • ChemSpider ID74104442

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(4S,7S,8Z,10Z,12R,12aS,14aS,18S,18aR,18bR)-2,2-Dichlor-4,7,12,16,18-pentamethyl-7,12,12a,14a,15,18,18a,18b-octahydro-1H-naphtho[1,2-g]oxacyclotetradecin-1,3,5(2H,4H)-trion [German] [ACD/IUPAC Name]
(4S,7S,8Z,10Z,12R,12aS,14aS,18S,18aR,18bR)-2,2-Dichloro-4,7,12,16,18-pentamethyl-7,12,12a,14a,15,18,18a,18b-octahydro-1H-naphtho[1,2-g]oxacyclotetradecine-1,3,5(2H,4H)-trione [ACD/IUPAC Name]
(4S,7S,8Z,10Z,12R,12aS,14aS,18S,18aR,18bR)-2,2-Dichloro-4,7,12,16,18-pentaméthyl-7,12,12a,14a,15,18,18a,18b-octahydro-1H-naphto[1,2-g]oxacyclotétradécine-1,3,5(2H,4H)-trione [French] [ACD/IUPAC Name]
1H-Naphth[1,2-g]oxacyclotetradecin-1,3,5(2H,4H)-trione, 2,2-dichloro-7,12,12a,14a,15,18,18a,18b-octahydro-4,7,12,16,18-pentamethyl-, (4S,7S,8Z,10Z,12R,12aS,14aS,18S,18aR,18bR)- [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: 635.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.9±3.0 kJ/mol
Flash Point: 206.5±30.5 °C
Index of Refraction: 1.556
Molar Refractivity: 127.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 6.07
ACD/LogD (pH 5.5): 6.11
ACD/BCF (pH 5.5): 25814.31
ACD/KOC (pH 5.5): 50059.03
ACD/LogD (pH 7.4): 6.08
ACD/BCF (pH 7.4): 24094.77
ACD/KOC (pH 7.4): 46724.50
Polar Surface Area: 60 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 44.6±5.0 dyne/cm
Molar Volume: 396.0±5.0 cm3

Click to predict properties on the Chemicalize site


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