ChemSpider 2D Image | Bicelaphanol A | C34H38O7

Bicelaphanol A

  • Molecular FormulaC34H38O7
  • Average mass558.661 Da
  • Monoisotopic mass558.261780 Da
  • ChemSpider ID65321696

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(14E)-14-[(7E)-12,13-Dihydroxy-6-oxopodocarpa-8(14),9(11),12-trien-7-yliden]-6,7-dihydroxypodocarpa-5,7,9(11)-trien-12,13-dion [German] [ACD/IUPAC Name]
(14E)-14-[(7E)-12,13-Dihydroxy-6-oxopodocarpa-8(14),9(11),12-trien-7-ylidene]-6,7-dihydroxypodocarpa-5,7,9(11)-triene-12,13-dione [ACD/IUPAC Name]
(14E)-14-[(7E)-12,13-Dihydroxy-6-oxopodocarpa-8(14),9(11),12-trién-7-ylidène]-6,7-dihydroxypodocarpa-5,7,9(11)-triène-12,13-dione [French] [ACD/IUPAC Name]
2,3-Phenanthrenedione, 1-[(4aS,10aS)-2,3,4,4a,10,10a-hexahydro-6,7-dihydroxy-1,1,4a-trimethyl-10-oxo-9(1H)-phenanthrenylidene]-1,4b,5,6,7,8-hexahydro-9,10-dihydroxy-4b,8,8-trimethyl-, (1E,4bR)- [ACD/Index Name]
Bicelaphanol A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 667.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 103.1±3.0 kJ/mol
Flash Point: 371.6±28.0 °C
Index of Refraction: 1.669
Molar Refractivity: 150.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 2
ACD/LogP: 7.14
ACD/LogD (pH 5.5): 5.18
ACD/BCF (pH 5.5): 2481.72
ACD/KOC (pH 5.5): 4040.35
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 40.20
ACD/KOC (pH 7.4): 65.44
Polar Surface Area: 132 Å2
Polarizability: 59.8±0.5 10-24cm3
Surface Tension: 68.8±5.0 dyne/cm
Molar Volume: 404.1±5.0 cm3

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