ChemSpider 2D Image | tagalsin M | C40H58O2

tagalsin M

  • Molecular FormulaC40H58O2
  • Average mass570.887 Da
  • Monoisotopic mass570.443665 Da
  • ChemSpider ID27023860

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

16-[(4aR,4bS,7S,8aS,10aS)-4b,7,10a-Trimethyl-1-methylen-2-oxo-7-vinyl-1,2,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydro-3-phenanthrenyl]pimar-8(14)-en-15-on [German] [ACD/IUPAC Name]
16-[(4aR,4bS,7S,8aS,10aS)-4b,7,10a-Trimethyl-1-methylene-2-oxo-7-vinyl-1,2,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydro-3-phenanthrenyl]pimar-8(14)-en-15-one [ACD/IUPAC Name]
16-[(4aR,4bS,7S,8aS,10aS)-4b,7,10a-Triméthyl-1-méthylène-2-oxo-7-vinyl-1,2,4a,4b,5,6,7,8,8a,9,10,10a-dodécahydro-3-phénanthrényl]pimar-8(14)-én-15-one [French] [ACD/IUPAC Name]
2(1H)-Phenanthrenone, 3-[2-[(2R,4aS,4bS,8aS)-2,3,4,4a,4b,5,6,7,8,8a,9,10-dodecahydro-2,4b,8,8-tetramethyl-2-phenanthrenyl]-2-oxoethyl]-7-ethenyl-4a,4b,5,6,7,8,8a,9,10,10a-decahydro-4b,7,10a-trimethyl- 1-methylene-, (4aR,4bS,7S,8aS,10aS)- [ACD/Index Name]
tagalsin M

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

Density: 1.1±0.1 g/cm3
Boiling Point: 631.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.4±3.0 kJ/mol
Flash Point: 227.8±28.5 °C
Index of Refraction: 1.554
Molar Refractivity: 173.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 13.17
ACD/LogD (pH 5.5): 12.04
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.04
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 34 Å2
Polarizability: 68.9±0.5 10-24cm3
Surface Tension: 41.5±5.0 dyne/cm
Molar Volume: 542.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement