ChemSpider 2D Image | Schweinfurthin B | C35H46O6

Schweinfurthin B

  • Molecular FormulaC35H46O6
  • Average mass562.736 Da
  • Monoisotopic mass562.329468 Da
  • ChemSpider ID558607

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

Featured data source
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2S,3R,4aR,9aR)-7-((E)-2-{4-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-3,5-dihydroxyphenyl}vinyl)-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-{4-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-3,5-dihydroxyphenyl}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-{4-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-3,5-dihydroxyphenyl}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-{4-[(2E)-3,7-Diméthyl-2,6-octadién-1-yl]-3,5-dihydroxyphényl}vinyl]-5-méthoxy-1,1,4a-triméthyl-2,3,4,4a,9,9a-hexahydro-1H-xanthène-2,3-diol [French] [ACD/IUPAC Name]
(2S,3R,4aR,9aR)-7-[(E)-2-{4-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-3,5-dihydroxyphenyl}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-{4-[(2E)-3,7-Dimethylocta-2,6-dien-1-yl]-3,5-dihydroxyphenyl}vinyl]-5-methoxy-1,1,4a-trimethyl-2,3,4,4a,9,9a-hexahydro-1H-xanthene-2,3-diol
1H-Xanthene-2,3-diol, 7-[(E)-2-[4-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-3,5-dihydroxyphenyl]ethenyl]-2,3,4,4a,9,9a-hexahydro-5-methoxy-1,1,4a-trimethyl-, (2S,3R,4aR,9aR)- [ACD/Index Name]
1H-xanthene-2,3-diol, 7-[(E)-2-[4-[(2E)-3,7-dimethyl-2,6-octadienyl]-3,5-dihydroxyphenyl]ethenyl]-2,3,4,4a,9,9a-hexahydro-5-methoxy-1,1,4a-trimethyl-, (2S,3R,4aR,9aR)-
Schweinfurthin B
(+)-schweinfurthin B
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

NSC696118 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 722.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.7±3.0 kJ/mol
Flash Point: 390.5±32.9 °C
Index of Refraction: 1.613
Molar Refractivity: 167.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 8.88
ACD/LogD (pH 5.5): 7.65
ACD/BCF (pH 5.5): 384945.41
ACD/KOC (pH 5.5): 346402.72
ACD/LogD (pH 7.4): 7.65
ACD/BCF (pH 7.4): 380110.44
ACD/KOC (pH 7.4): 342051.84
Polar Surface Area: 99 Å2
Polarizability: 66.6±0.5 10-24cm3
Surface Tension: 48.0±3.0 dyne/cm
Molar Volume: 482.2±3.0 cm3

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