ChemSpider 2D Image | schweinfurthin H | C30H38O7

schweinfurthin H

  • Molecular FormulaC30H38O7
  • Average mass510.618 Da
  • Monoisotopic mass510.261749 Da
  • ChemSpider ID17273827

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(2S,3R,4aR,9aR)-7-[(E)-2-(3,5-dihydroxy-2,2-dimethyl-3,4-dihydro-2H-chromen-7-yl)ethenyl]-5-methoxy-1,1,4a-trimethyl-2,3,4,4a,9,9a-hexahydro-1H-xanthene-2,3-diol
(2S,3R,4aR,9aR)-7-[(E)-2-(3,5-Dihydroxy-2,2-dimethyl-3,4-dihydro-2H-chromen-7-yl)vinyl]-5-methoxy-1,1,4a-trimethyl-2,3,4,4a,9,9a-hexahydro-1H-xanthen-2,3-diol [German] [ACD/IUPAC Name]
(2S,3R,4aR,9aR)-7-[(E)-2-(3,5-Dihydroxy-2,2-dimethyl-3,4-dihydro-2H-chromen-7-yl)vinyl]-5-methoxy-1,1,4a-trimethyl-2,3,4,4a,9,9a-hexahydro-1H-xanthene-2,3-diol [ACD/IUPAC Name]
(2S,3R,4aR,9aR)-7-[(E)-2-(3,5-Dihydroxy-2,2-diméthyl-3,4-dihydro-2H-chromén-7-yl)vinyl]-5-méthoxy-1,1,4a-triméthyl-2,3,4,4a,9,9a-hexahydro-1H-xanthène-2,3-diol [French] [ACD/IUPAC Name]
1H-Xanthene-2,3-diol, 7-[(E)-2-(3,4-dihydro-3,5-dihydroxy-2,2-dimethyl-2H-1-benzopyran-7-yl)ethenyl]-2,3,4,4a,9,9a-hexahydro-5-methoxy-1,1,4a-trimethyl-, (2S,3R,4aR,9aR)- [ACD/Index Name]
schweinfurthin H

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

Density: 1.3±0.1 g/cm3
Boiling Point: 682.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.2±3.0 kJ/mol
Flash Point: 366.8±31.5 °C
Index of Refraction: 1.630
Molar Refractivity: 144.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 5.66
ACD/LogD (pH 5.5): 5.04
ACD/BCF (pH 5.5): 3958.93
ACD/KOC (pH 5.5): 13083.75
ACD/LogD (pH 7.4): 5.03
ACD/BCF (pH 7.4): 3939.18
ACD/KOC (pH 7.4): 13018.49
Polar Surface Area: 109 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 52.8±3.0 dyne/cm
Molar Volume: 405.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement