ChemSpider 2D Image | (1R,2S,3R,6R,7R,8R,9R,12S)-12-Hydroxy-6-isopropyl-3,9-dimethyl-13-methylene-15-oxatricyclo[6.6.1.0~2,7~]pentadecane-3,9-diyl diacetate | C24H38O6

(1R,2S,3R,6R,7R,8R,9R,12S)-12-Hydroxy-6-isopropyl-3,9-dimethyl-13-methylene-15-oxatricyclo[6.6.1.02,7]pentadecane-3,9-diyl diacetate

  • Molecular FormulaC24H38O6
  • Average mass422.555 Da
  • Monoisotopic mass422.266846 Da
  • ChemSpider ID23327340

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1R,2S,3R,6R,7R,8R,9R,12S)-12-Hydroxy-6-isopropyl-3,9-dimethyl-13-methylen-15-oxatricyclo[6.6.1.02,7]pentadecan-3,9-diyl-diacetat [German] [ACD/IUPAC Name]
(1R,2S,3R,6R,7R,8R,9R,12S)-12-Hydroxy-6-isopropyl-3,9-dimethyl-13-methylene-15-oxatricyclo[6.6.1.02,7]pentadecane-3,9-diyl diacetate [ACD/IUPAC Name]
5,12-Epoxybenzocyclodecene-1,6,9-triol, tetradecahydro-1,6-dimethyl-10-methylene-4-(1-methylethyl)-, 1,6-diacetate, (1R,4R,4aR,5R,6R,9S,12R,12aS)- [ACD/Index Name]
Diacétate de (1R,2S,3R,6R,7R,8R,9R,12S)-12-hydroxy-6-isopropyl-3,9-diméthyl-13-méthylène-15-oxatricyclo[6.6.1.02,7]pentadécane-3,9-diyle [French] [ACD/IUPAC Name]
(1R,4R,4aR,5R,6R,9S,12R,12aS)-9-hydroxy-1,6-dimethyl-10-methylidene-4-(propan-2-yl)tetradecahydro-5,12-epoxybenzo[10]annulene-1,6-diyl diacetate
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL511481/
palmonine F

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

Density: 1.1±0.1 g/cm3
Boiling Point: 499.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.4±6.0 kJ/mol
Flash Point: 158.6±22.2 °C
Index of Refraction: 1.516
Molar Refractivity: 113.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.18
ACD/LogD (pH 5.5): 4.39
ACD/BCF (pH 5.5): 1266.13
ACD/KOC (pH 5.5): 5785.65
ACD/LogD (pH 7.4): 4.39
ACD/BCF (pH 7.4): 1266.13
ACD/KOC (pH 7.4): 5785.65
Polar Surface Area: 82 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 41.9±5.0 dyne/cm
Molar Volume: 375.5±5.0 cm3

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