ChemSpider 2D Image | phomoarcherin B | C23H28O5

phomoarcherin B

  • Molecular FormulaC23H28O5
  • Average mass384.465 Da
  • Monoisotopic mass384.193665 Da
  • ChemSpider ID26347705

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(6aR,6bS,10aR,12aS)-5-Hydroxy-6b,10,10,12a-tetramethyl-6a,7,8,10,10a,11,12,12a-octahydro-1H-benzo[a]furo[3,4-h]xanthen-3,9(6H,6bH)-dion [German] [ACD/IUPAC Name]
(6aR,6bS,10aR,12aS)-5-Hydroxy-6b,10,10,12a-tetramethyl-6a,7,8,10,10a,11,12,12a-octahydro-1H-benzo[a]furo[3,4-h]xanthene-3,9(6H,6bH)-dione [ACD/IUPAC Name]
(6aR,6bS,10aR,12aS)-5-Hydroxy-6b,10,10,12a-tétraméthyl-6a,7,8,10,10a,11,12,12a-octahydro-1H-benzo[a]furo[3,4-h]xanthène-3,9(6H,6bH)-dione [French] [ACD/IUPAC Name]
1H-Benzo[a]furo[3,4-h]xanthene-3,9(6H,6bH)-dione, 6a,7,8,10,10a,11,12,12a-octahydro-5-hydroxy-6b,10,10,12a-tetramethyl-, (6aR,6bS,10aR,12aS)- [ACD/Index Name]
phomoarcherin B

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

Density: 1.2±0.1 g/cm3
Boiling Point: 584.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.5±3.0 kJ/mol
Flash Point: 203.7±23.6 °C
Index of Refraction: 1.576
Molar Refractivity: 102.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.91
ACD/LogD (pH 5.5): 4.21
ACD/BCF (pH 5.5): 933.88
ACD/KOC (pH 5.5): 4652.86
ACD/LogD (pH 7.4): 4.21
ACD/BCF (pH 7.4): 925.32
ACD/KOC (pH 7.4): 4610.23
Polar Surface Area: 73 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 46.7±3.0 dyne/cm
Molar Volume: 310.7±3.0 cm3

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