ChemSpider 2D Image | (1R,2R,5R,7S,10S,11R,13S,14S,15R)-13-Chloro-2,6,6,10,14,17,17-heptamethyl-21-oxo-22-oxahexacyclo[18.2.2.0~1,14~.0~2,11~.0~5,10~.0~15,20~]tetracos-7-yl acetate | C32H49ClO4

(1R,2R,5R,7S,10S,11R,13S,14S,15R)-13-Chloro-2,6,6,10,14,17,17-heptamethyl-21-oxo-22-oxahexacyclo[18.2.2.01,14.02,11.05,10.015,20]tetracos-7-yl acetate

  • Molecular FormulaC32H49ClO4
  • Average mass533.182 Da
  • Monoisotopic mass532.331909 Da
  • ChemSpider ID30656513

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1R,2R,5R,7S,10S,11R,13S,14S,15R)-13-Chlor-2,6,6,10,14,17,17-heptamethyl-21-oxo-22-oxahexacyclo[18.2.2.01,14.02,11.05,10.015,20]tetracos-7-yl-acetat [German] [ACD/IUPAC Name]
(1R,2R,5R,7S,10S,11R,13S,14S,15R)-13-Chloro-2,6,6,10,14,17,17-heptamethyl-21-oxo-22-oxahexacyclo[18.2.2.01,14.02,11.05,10.015,20]tetracos-7-yl acetate [ACD/IUPAC Name]
4a,6a-Ethano-5H-benzo[d]phenanthro[1,2-b]pyran-5-one, 10-(acetyloxy)-14-chlorooctadecahydro-2,2,6b,9,9,12a,14a-heptamethyl-, (6aR,6bR,8aR,10S,12aS,12bR,14S,14aS,14bR)- [ACD/Index Name]
Acétate de (1R,2R,5R,7S,10S,11R,13S,14S,15R)-13-chloro-2,6,6,10,14,17,17-heptaméthyl-21-oxo-22-oxahexacyclo[18.2.2.01,14.02,11.05,10.015,20]tétracos-7-yle [French] [ACD/IUPAC 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: 599.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.2±3.0 kJ/mol
Flash Point: 164.2±29.1 °C
Index of Refraction: 1.547
Molar Refractivity: 146.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 8.55
ACD/LogD (pH 5.5): 8.66
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1223986.63
ACD/LogD (pH 7.4): 8.66
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1223986.63
Polar Surface Area: 53 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 44.0±5.0 dyne/cm
Molar Volume: 461.6±5.0 cm3

Click to predict properties on the Chemicalize site


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