ChemSpider 2D Image | 3,9,11-Trihydroxy-6-(2-hydroxy-2-propanyl)-10,12-bis(3-methyl-2-buten-1-yl)-6,7-dihydro-8H-chromeno[3,2-d][1]benzoxepin-8-one | C30H34O7

3,9,11-Trihydroxy-6-(2-hydroxy-2-propanyl)-10,12-bis(3-methyl-2-buten-1-yl)-6,7-dihydro-8H-chromeno[3,2-d][1]benzoxepin-8-one

  • Molecular FormulaC30H34O7
  • Average mass506.587 Da
  • Monoisotopic mass506.230438 Da
  • ChemSpider ID24844333

More details:

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

3,9,11-Trihydroxy-6-(2-hydroxy-2-propanyl)-10,12-bis(3-methyl-2-buten-1-yl)-6,7-dihydro-8H-chromeno[3,2-d][1]benzoxepin-8-on [German] [ACD/IUPAC Name]
3,9,11-Trihydroxy-6-(2-hydroxy-2-propanyl)-10,12-bis(3-methyl-2-buten-1-yl)-6,7-dihydro-8H-chromeno[3,2-d][1]benzoxepin-8-one [ACD/IUPAC Name]
3,9,11-Trihydroxy-6-(2-hydroxy-2-propanyl)-10,12-bis(3-méthyl-2-butén-1-yl)-6,7-dihydro-8H-chroméno[3,2-d][1]benzoxépin-8-one [French] [ACD/IUPAC Name]
8H-[1]Benzopyrano[3,2-d][1]benzoxepin-8-one, 6,7-dihydro-3,9,11-trihydroxy-6-(1-hydroxy-1-methylethyl)-10,12-bis(3-methyl-2-buten-1-yl)- [ACD/Index Name]
Artelastocarpin

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

Density: 1.3±0.1 g/cm3
Boiling Point: 727.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.5±3.0 kJ/mol
Flash Point: 238.4±26.4 °C
Index of Refraction: 1.653
Molar Refractivity: 139.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 5.95
ACD/LogD (pH 5.5): 5.76
ACD/BCF (pH 5.5): 14126.90
ACD/KOC (pH 5.5): 32446.44
ACD/LogD (pH 7.4): 5.54
ACD/BCF (pH 7.4): 8504.43
ACD/KOC (pH 7.4): 19532.84
Polar Surface Area: 116 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 65.7±5.0 dyne/cm
Molar Volume: 380.5±5.0 cm3

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