ChemSpider 2D Image | (20E)-7-Butyl-11,16,23,24,25-pentahydroxy-10,19,21-trimethyl-15-methylene-8,13,28,29-tetraoxatetracyclo[22.3.1.1~3,6~.0~12,14~]nonacos-20-ene-9,18-dione | C33H52O11

(20E)-7-Butyl-11,16,23,24,25-pentahydroxy-10,19,21-trimethyl-15-methylene-8,13,28,29-tetraoxatetracyclo[22.3.1.13,6.012,14]nonacos-20-ene-9,18-dione

  • Molecular FormulaC33H52O11
  • Average mass624.759 Da
  • Monoisotopic mass624.350952 Da
  • ChemSpider ID8184694

  • Double-bond stereo - Double-bond stereo

More details:

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

(20E)-7-Butyl-11,16,23,24,25-pentahydroxy-10,19,21-trimethyl-15-methylen-8,13,28,29-tetraoxatetracyclo[22.3.1.13,6.012,14]nonacos-20-en-9,18-dion [German] [ACD/IUPAC Name]
(20E)-7-Butyl-11,16,23,24,25-pentahydroxy-10,19,21-trimethyl-15-methylene-8,13,28,29-tetraoxatetracyclo[22.3.1.13,6.012,14]nonacos-20-ene-9,18-dione [ACD/IUPAC Name]
(20E)-7-Butyl-11,16,23,24,25-pentahydroxy-10,19,21-triméthyl-15-méthylène-8,13,28,29-tétraoxatétracyclo[22.3.1.13,6.012,14]nonacos-20-ène-9,18-dione [French] [ACD/IUPAC Name]
caribenolide I

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

Density: 1.3±0.1 g/cm3
Boiling Point: 818.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 135.4±6.0 kJ/mol
Flash Point: 254.9±27.8 °C
Index of Refraction: 1.566
Molar Refractivity: 160.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 2.33
ACD/LogD (pH 5.5): 1.66
ACD/BCF (pH 5.5): 10.70
ACD/KOC (pH 5.5): 189.86
ACD/LogD (pH 7.4): 1.66
ACD/BCF (pH 7.4): 10.70
ACD/KOC (pH 7.4): 189.85
Polar Surface Area: 176 Å2
Polarizability: 63.6±0.5 10-24cm3
Surface Tension: 57.0±5.0 dyne/cm
Molar Volume: 492.0±5.0 cm3

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