ChemSpider 2D Image | Calyflorenone B | C36H38O11

Calyflorenone B

  • Molecular FormulaC36H38O11
  • Average mass646.680 Da
  • Monoisotopic mass646.241394 Da
  • ChemSpider ID8922102

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2S,4R,6S,6aR,8R,10S,13bR)-8-Hydroxy-4,6,6a,12,13,13b-hexamethoxy-2,10-diphenyl-2,3,4,6,6a,9,10,13b-octahydro-5H,8H-chromeno[8',7':4,5]furo[2,3-f]chromen-5-on [German] [ACD/IUPAC Name]
(2S,4R,6S,6aR,8R,10S,13bR)-8-Hydroxy-4,6,6a,12,13,13b-hexamethoxy-2,10-diphenyl-2,3,4,6,6a,9,10,13b-octahydro-5H,8H-chromeno[8',7':4,5]furo[2,3-f]chromen-5-one [ACD/IUPAC Name]
(2S,4R,6S,6aR,8R,10S,13bR)-8-Hydroxy-4,6,6a,12,13,13b-hexaméthoxy-2,10-diphényl-2,3,4,6,6a,9,10,13b-octahydro-5H,8H-chroméno[8',7':4,5]furo[2,3-f]chromén-5-one [French] [ACD/IUPAC Name]
Calyflorenone B

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

Density: 1.4±0.1 g/cm3
Boiling Point: 719.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.3±3.0 kJ/mol
Flash Point: 222.8±26.4 °C
Index of Refraction: 1.637
Molar Refractivity: 168.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 4.61
ACD/LogD (pH 5.5): 4.03
ACD/BCF (pH 5.5): 675.41
ACD/KOC (pH 5.5): 3689.82
ACD/LogD (pH 7.4): 4.03
ACD/BCF (pH 7.4): 675.41
ACD/KOC (pH 7.4): 3689.81
Polar Surface Area: 120 Å2
Polarizability: 66.6±0.5 10-24cm3
Surface Tension: 61.9±5.0 dyne/cm
Molar Volume: 468.2±5.0 cm3

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