ChemSpider 2D Image | lobophytone D | C41H63ClO8

lobophytone D

  • Molecular FormulaC41H63ClO8
  • Average mass719.387 Da
  • Monoisotopic mass718.421143 Da
  • ChemSpider ID27024805

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(1R,2S,4R,8R,11S,14R,18S,21S,22R,23E,27S)-27-Chloro-2,4-dihydroxy-11-isopropyl-2,6,14,18,24,28-hexaméthyl-10,13,20-trioxo-31-oxatétracyclo[26.2.1.05,22.08,21]héntriaconta-5,23-diène-8-carboxylate de méthyle [French] [ACD/IUPAC Name]
6,9-Epoxybenzo[1,2-a:3,4-a']dicyclotetradecene-14a(3H)-carboxylic acid, 5-chloro-4,5,6,7,8,9,10,11,12,14,15,16,17,18,19,20,21,22,23,24,25,26,26a,26b-tetracosahydro-10,12-dihydroxy-2,6,10,13,20,24-hexa methyl-17-(1-methylethyl)-16,19,26-trioxo-, methyl ester, (1E,5S,9R,10S,12R,14aR,17S,20R,24S,26aS,26bR)- [ACD/Index Name]
lobophytone D
Methyl (1R,2S,4R,8R,11S,14R,18S,21S,22R,23E,27S)-27-chloro-2,4-dihydroxy-11-isopropyl-2,6,14,18,24,28-hexamethyl-10,13,20-trioxo-31-oxatetracyclo[26.2.1.05,22.08,21]hentriaconta-5,23-diene-8-carbo 
xylate [ACD/IUPAC Name]
Methyl-(1R,2S,4R,8R,11S,14R,18S,21S,22R,23E,27S)-27-chlor-2,4-dihydroxy-11-isopropyl-2,6,14,18,24,28-hexamethyl-10,13,20-trioxo-31-oxatetracyclo[26.2.1.05,22.08,21]hentriaconta-5,23-dien-8-carboxy lat [German] [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: 803.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.5 mmHg at 25°C
Enthalpy of Vaporization: 133.1±6.0 kJ/mol
Flash Point: 439.8±34.3 °C
Index of Refraction: 1.542
Molar Refractivity: 194.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 7.07
ACD/LogD (pH 5.5): 6.84
ACD/BCF (pH 5.5): 93697.98
ACD/KOC (pH 5.5): 125992.21
ACD/LogD (pH 7.4): 6.84
ACD/BCF (pH 7.4): 93697.98
ACD/KOC (pH 7.4): 125992.21
Polar Surface Area: 127 Å2
Polarizability: 77.1±0.5 10-24cm3
Surface Tension: 47.5±5.0 dyne/cm
Molar Volume: 618.3±5.0 cm3

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