ChemSpider 2D Image | (1R,2R,4S,6R,7R,8R,9R,12S,13S)-4,13-Dihydroxy-6-isopropyl-9,13-dimethyl-3-methylene-15-oxatricyclo[6.6.1.0~2,7~]pentadecane-9,12-diyl diacetate | C24H38O7

(1R,2R,4S,6R,7R,8R,9R,12S,13S)-4,13-Dihydroxy-6-isopropyl-9,13-dimethyl-3-methylene-15-oxatricyclo[6.6.1.02,7]pentadecane-9,12-diyl diacetate

  • Molecular FormulaC24H38O7
  • Average mass438.554 Da
  • Monoisotopic mass438.261749 Da
  • ChemSpider ID30771254

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1R,2R,4S,6R,7R,8R,9R,12S,13S)-4,13-Dihydroxy-6-isopropyl-9,13-dimethyl-3-methylen-15-oxatricyclo[6.6.1.02,7]pentadecan-9,12-diyl-diacetat [German] [ACD/IUPAC Name]
(1R,2R,4S,6R,7R,8R,9R,12S,13S)-4,13-Dihydroxy-6-isopropyl-9,13-dimethyl-3-methylene-15-oxatricyclo[6.6.1.02,7]pentadecane-9,12-diyl diacetate [ACD/IUPAC Name]
5,12-Epoxybenzocyclodecene-2,6,9,10-tetrol, tetradecahydro-6,10-dimethyl-1-methylene-4-(1-methylethyl)-, 6,9-diacetate, (2S,4R,4aR,5R,6R,9S,10S,12R,12aR)- [ACD/Index Name]
Diacétate de (1R,2R,4S,6R,7R,8R,9R,12S,13S)-4,13-dihydroxy-6-isopropyl-9,13-diméthyl-3-méthylène-15-oxatricyclo[6.6.1.02,7]pentadécane-9,12-diyle [French] [ACD/IUPAC Name]
cladieunicellin N
klymollin Q

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

Density: 1.2±0.1 g/cm3
Boiling Point: 530.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 92.7±6.0 kJ/mol
Flash Point: 170.5±23.6 °C
Index of Refraction: 1.528
Molar Refractivity: 114.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.59
ACD/LogD (pH 5.5): 3.13
ACD/BCF (pH 5.5): 140.73
ACD/KOC (pH 5.5): 1200.70
ACD/LogD (pH 7.4): 3.13
ACD/BCF (pH 7.4): 140.73
ACD/KOC (pH 7.4): 1200.70
Polar Surface Area: 102 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 45.6±5.0 dyne/cm
Molar Volume: 373.4±5.0 cm3

Click to predict properties on the Chemicalize site


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