ChemSpider 2D Image | (1R,2R,5S,6R,7R,8R,9R,12S,13S)-12,13-Dihydroxy-6-isopropyl-5-methoxy-3,9,13-trimethyl-15-oxatricyclo[6.6.1.0~2,7~]pentadec-3-en-9-yl acetate | C23H38O6

(1R,2R,5S,6R,7R,8R,9R,12S,13S)-12,13-Dihydroxy-6-isopropyl-5-methoxy-3,9,13-trimethyl-15-oxatricyclo[6.6.1.02,7]pentadec-3-en-9-yl acetate

  • Molecular FormulaC23H38O6
  • Average mass410.544 Da
  • Monoisotopic mass410.266846 Da
  • ChemSpider ID40256505

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1R,2R,5S,6R,7R,8R,9R,12S,13S)-12,13-Dihydroxy-6-isopropyl-5-methoxy-3,9,13-trimethyl-15-oxatricyclo[6.6.1.02,7]pentadec-3-en-9-yl acetate [ACD/IUPAC Name]
(1R,2R,5S,6R,7R,8R,9R,12S,13S)-12,13-Dihydroxy-6-isopropyl-5-methoxy-3,9,13-trimethyl-15-oxatricyclo[6.6.1.02,7]pentadec-3-en-9-yl-acetat [German] [ACD/IUPAC Name]
5,12-Epoxybenzocyclodecene-6,9,10-triol, 3,4,4a,5,6,7,8,9,10,11,12,12a-dodecahydro-3-methoxy-1,6,10-trimethyl-4-(1-methylethyl)-, 6-acetate, (3S,4R,4aR,5R,6R,9S,10S,12R,12aR)- [ACD/Index Name]
Acétate de (1R,2R,5S,6R,7R,8R,9R,12S,13S)-12,13-dihydroxy-6-isopropyl-5-méthoxy-3,9,13-triméthyl-15-oxatricyclo[6.6.1.02,7]pentadéc-3-én-9-yle [French] [ACD/IUPAC 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: 497.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.2±6.0 kJ/mol
Flash Point: 160.1±22.2 °C
Index of Refraction: 1.528
Molar Refractivity: 110.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.95
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 288.98
ACD/KOC (pH 5.5): 2009.52
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 288.98
ACD/KOC (pH 7.4): 2009.52
Polar Surface Area: 85 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 44.0±5.0 dyne/cm
Molar Volume: 358.4±5.0 cm3

Click to predict properties on the Chemicalize site


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