ChemSpider 2D Image | lobophytone F | C41H62O8

lobophytone F

  • Molecular FormulaC41H62O8
  • Average mass682.926 Da
  • Monoisotopic mass682.444458 Da
  • ChemSpider ID27024807

  • 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

(1S,5R,8S,11R,15S,18S,19R,20E,24R,26R,29R,30S)-30-Hydroxy-8-isopropyl-3,11,15,21,26,30-hexaméthyl-7,10,17-trioxo-25,32-dioxapentacyclo[27.2.1.02,19.05,18.024,26]dotriaconta-2,20-diène-5-carboxyl ; ate de méthyle [French] [ACD/IUPAC Name]
4,7-Epoxycyclotetradeca[3',4']benzo[1',2':9,10]cyclotetradec[1,2-b]oxirene-9a(2H)-carboxylic acid, 1a,3,4,5,6,7,9,10,11,12,13,14,15,16,17,18,19,20,21,21a,21b,24,25,25a-tetracosahydro-5-hydroxy-1a,5,8, 15,19,23-hexamethyl-12-(1-methylethyl)-11,14,21-trioxo-, methyl ester, (1aR,4R,5S,7S,9aR,12S,15R,19S,21aS,21bR,22E,25aR)- [ACD/Index Name]
lobophytone F
Methyl (1S,5R,8S,11R,15S,18S,19R,20E,24R,26R,29R,30S)-30-hydroxy-8-isopropyl-3,11,15,21,26,30-hexamethyl-7,10,17-trioxo-25,32-dioxapentacyclo[27.2.1.02,19.05,18.024,26]dotriaconta-2,20-diene-5-c arboxylate [ACD/IUPAC Name]
Methyl-(1S,5R,8S,11R,15S,18S,19R,20E,24R,26R,29R,30S)-30-hydroxy-8-isopropyl-3,11,15,21,26,30-hexamethyl-7,10,17-trioxo-25,32-dioxapentacyclo[27.2.1.02,19.05,18.024,26]dotriaconta-2,20-dien-5-ca rboxylat [German] [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: 764.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 127.0±6.0 kJ/mol
Flash Point: 223.7±26.4 °C
Index of Refraction: 1.542
Molar Refractivity: 187.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 6.57
ACD/LogD (pH 5.5): 6.48
ACD/BCF (pH 5.5): 49164.36
ACD/KOC (pH 5.5): 79408.25
ACD/LogD (pH 7.4): 6.48
ACD/BCF (pH 7.4): 49164.36
ACD/KOC (pH 7.4): 79408.25
Polar Surface Area: 120 Å2
Polarizability: 74.5±0.5 10-24cm3
Surface Tension: 46.4±5.0 dyne/cm
Molar Volume: 597.1±5.0 cm3

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