Found 6 results

Search term: MF = 'C_{43}H_{60}O_{7}'
ChemSpider 2D Image | (1S,6R,9S,10R,13R)-3-(3,4-Dihydroxybenzoyl)-13-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-2-hydroxy-6-(2-hydroxy-2-propanyl)-9-methyl-1,10-bis(3-methyl-2-buten-1-yl)-5-oxatricyclo[7.2.2.0~4,10~]tridec-2-en -11-one | C43H60O7

(1S,6R,9S,10R,13R)-3-(3,4-Dihydroxybenzoyl)-13-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-2-hydroxy-6-(2-hydroxy-2-propanyl)-9-methyl-1,10-bis(3-methyl-2-buten-1-yl)-5-oxatricyclo[7.2.2.04,10]tridec-2-en -11-one

  • Molecular FormulaC43H60O7
  • Average mass688.932 Da
  • Monoisotopic mass688.433899 Da
  • ChemSpider ID76821678

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(1S,6R,9S,10R,13R)-3-(3,4-Dihydroxybenzoyl)-13-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-2-hydroxy-6-(2-hydroxy-2-propanyl)-9-methyl-1,10-bis(3-methyl-2-buten-1-yl)-5-oxatricyclo[7.2.2.04,10]tridec-2-en 
-11-on [German] [ACD/IUPAC Name]
(1S,6R,9S,10R,13R)-3-(3,4-Dihydroxybenzoyl)-13-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-2-hydroxy-6-(2-hydroxy-2-propanyl)-9-methyl-1,10-bis(3-methyl-2-buten-1-yl)-5-oxatricyclo[7.2.2.04,10]tridec-2-en 
-11-one [ACD/IUPAC Name]
(1S,6R,9S,10R,13R)-3-(3,4-Dihydroxybenzoyl)-13-[(2E)-3,7-diméthyl-2,6-octadién-1-yl]-2-hydroxy-6-(2-hydroxy-2-propanyl)-9-méthyl-1,10-bis(3-méthyl-2-butén-1-yl)-5-oxatricyclo[7.2.2.04,10]tridéc-2-én 
-11-one [French] [ACD/IUPAC Name]
5,7-Ethano-1-benzoxepin-6(2H)-one, 9-(3,4-dihydroxybenzoyl)-11-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-3,4,5,5a,7,9a-hexahydro-8-hydroxy-2-(1-hydroxy-1-methylethyl)-5-methyl-5a,7-bis(3-methyl-2-buten-1- yl)-, (2R,5S,5aR,7S,11R)- [ACD/Index 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: 782.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.3±3.0 kJ/mol
Flash Point: 227.4±26.4 °C
Index of Refraction: 1.569
Molar Refractivity: 199.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 11.92
ACD/LogD (pH 5.5): 9.46
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1122974.13
ACD/LogD (pH 7.4): 7.56
ACD/BCF (pH 7.4): 64728.67
ACD/KOC (pH 7.4): 14082.92
Polar Surface Area: 124 Å2
Polarizability: 79.2±0.5 10-24cm3
Surface Tension: 46.1±3.0 dyne/cm
Molar Volume: 609.3±3.0 cm3

Click to predict properties on the Chemicalize site


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