ChemSpider 2D Image | lobophytone E | C41H62O8

lobophytone E

  • Molecular FormulaC41H62O8
  • Average mass682.926 Da
  • Monoisotopic mass682.444458 Da
  • ChemSpider ID27024806

  • 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,3R,4E,8R,12R,13S,15E,21S,25R,28S)-8,13-Dihydroxy-28-isopropyl-5,9,13,17,21,25-hexaméthyl-26,29-dioxo-18,32-dioxapentacyclo[15.13.1.19,12.02,19.03,16]dotriaconta-4,15,19-triène-1-carboxyla te de méthyle [French] [ACD/IUPAC Name]
(1R,2S,3R,4E,8R,9S,12R,13S,15E,17S,19E,21S,25R,28S)-8,13-Dihydroxy-28-isopropyl-5,9,13,17,21,25-hexaméthyl-26,29-dioxo-18,32-dioxapentacyclo[15.13.1.19,12.02,19.03,16]dotriaconta-4,15,19-triène- 1-carboxylate de méthyle [French] [ACD/IUPAC Name]
18,21-Epoxy-1,14-methano-1H-dicyclotetradeca[b,d]pyran-1-carboxylic acid, 2,3,4,5,6,7,8,9,10,11,14,16,17,18,19,20,21,22,23,24,26a,26b-docosahydro-17,22-dihydroxy-7,11,14,17,21,25-hexamethyl-4-(1-methy lethyl)-3,6-dioxo-, methyl ester, (1R,4S,7R,11S,12E,14S,14aE,17S,18R,21S,22R,25E,26aR,26bS)- [ACD/Index Name]
18,21-Epoxy-1,14-methano-1H-dicyclotetradeca[b,d]pyran-1-carboxylic acid, 2,3,4,5,6,7,8,9,10,11,14,16,17,18,19,20,21,22,23,24,26a,26b-docosahydro-17,22-dihydroxy-7,11,14,17,21,25-hexamethyl-4-(1-methy lethyl)-3,6-dioxo-, methyl ester, (1R,4S,7R,11S,14aE,17S,18R,22R,25E,26aR,26bS)- [ACD/Index Name]
lobophytone E
Methyl (1R,2S,3R,4E,8R,12R,13S,15E,21S,25R,28S)-8,13-dihydroxy-28-isopropyl-5,9,13,17,21,25-hexamethyl-26,29-dioxo-18,32-dioxapentacyclo[15.13.1.19,12.02,19.03,16]dotriaconta-4,15,19-triene-1-ca 
rboxylate [ACD/IUPAC Name]
Methyl (1R,2S,3R,4E,8R,9S,12R,13S,15E,17S,19E,21S,25R,28S)-8,13-dihydroxy-28-isopropyl-5,9,13,17,21,25-hexamethyl-26,29-dioxo-18,32-dioxapentacyclo[15.13.1.19,12.02,19.03,16]dotriaconta-4,15,19- triene-1-carboxylate [ACD/IUPAC Name]
Methyl-(1R,2S,3R,4E,8R,12R,13S,15E,21S,25R,28S)-8,13-dihydroxy-28-isopropyl-5,9,13,17,21,25-hexamethyl-26,29-dioxo-18,32-dioxapentacyclo[15.13.1.19,12.02,19.03,16]dotriaconta-4,15,19-trien-1-car 
boxylat [German] [ACD/IUPAC Name]
Methyl-(1R,2S,3R,4E,8R,9S,12R,13S,15E,17S,19E,21S,25R,28S)-8,13-dihydroxy-28-isopropyl-5,9,13,17,21,25-hexamethyl-26,29-dioxo-18,32-dioxapentacyclo[15.13.1.19,12.02,19.03,16]dotriaconta-4,15,19- trien-1-carboxylat [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: 779.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.1 mmHg at 25°C
Enthalpy of Vaporization: 129.2±6.0 kJ/mol
Flash Point: 228.9±26.4 °C
Index of Refraction: 1.554
Molar Refractivity: 189.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 6.05
ACD/LogD (pH 5.5): 5.98
ACD/BCF (pH 5.5): 20721.86
ACD/KOC (pH 5.5): 42784.42
ACD/LogD (pH 7.4): 5.98
ACD/BCF (pH 7.4): 20721.86
ACD/KOC (pH 7.4): 42784.42
Polar Surface Area: 119 Å2
Polarizability: 75.0±0.5 10-24cm3
Surface Tension: 48.2±5.0 dyne/cm
Molar Volume: 590.7±5.0 cm3

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