ChemSpider 2D Image | (1R,4S,5R,8S,9R,10S)-8-Benzoyl-5-hydroxy-4-(2-hydroxy-2-propanyl)-9-methyl-1,10-bis(3-methyl-2-buten-1-yl)-9-(4-methyl-3-penten-1-yl)-3-oxatricyclo[6.3.1.0~2,6~]dodecane-7,12-dione | C38H52O6

(1R,4S,5R,8S,9R,10S)-8-Benzoyl-5-hydroxy-4-(2-hydroxy-2-propanyl)-9-methyl-1,10-bis(3-methyl-2-buten-1-yl)-9-(4-methyl-3-penten-1-yl)-3-oxatricyclo[6.3.1.02,6]dodecane-7,12-dione

  • Molecular FormulaC38H52O6
  • Average mass604.816 Da
  • Monoisotopic mass604.376404 Da
  • ChemSpider ID30818463

  • defined stereocentres - 6 of 8 defined stereocentres

More details:

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

(1R,4S,5R,8S,9R,10S)-8-Benzoyl-5-hydroxy-4-(2-hydroxy-2-propanyl)-9-methyl-1,10-bis(3-methyl-2-buten-1-yl)-9-(4-methyl-3-penten-1-yl)-3-oxatricyclo[6.3.1.02,6]dodecan-7,12-dion [German] [ACD/IUPAC Name]
(1R,4S,5R,8S,9R,10S)-8-Benzoyl-5-hydroxy-4-(2-hydroxy-2-propanyl)-9-methyl-1,10-bis(3-methyl-2-buten-1-yl)-9-(4-methyl-3-penten-1-yl)-3-oxatricyclo[6.3.1.02,6]dodecane-7,12-dione [ACD/IUPAC Name]
(1R,4S,5R,8S,9R,10S)-8-Benzoyl-5-hydroxy-4-(2-hydroxy-2-propanyl)-9-méthyl-1,10-bis(3-méthyl-2-butén-1-yl)-9-(4-méthyl-3-pentén-1-yl)-3-oxatricyclo[6.3.1.02,6]dodécane-7,12-dione [French] [ACD/IUPAC Name]
5,9-Methanocycloocta[b]furan-4,10(2H)-dione, 5-benzoyloctahydro-3-hydroxy-2-(1-hydroxy-1-methylethyl)-6-methyl-7,9-bis(3-methyl-2-buten-1-yl)-6-(4-methyl-3-penten-1-yl)-, (2S,3R,5S,6R,7S,9R)- [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: 707.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.6±3.0 kJ/mol
Flash Point: 211.6±26.4 °C
Index of Refraction: 1.548
Molar Refractivity: 173.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 9.77
ACD/LogD (pH 5.5): 9.12
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2190942.75
ACD/LogD (pH 7.4): 9.12
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2190940.25
Polar Surface Area: 101 Å2
Polarizability: 68.8±0.5 10-24cm3
Surface Tension: 42.4±3.0 dyne/cm
Molar Volume: 546.2±3.0 cm3

Click to predict properties on the Chemicalize site


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