ChemSpider 2D Image | tagalsin P | C18H28O3

tagalsin P

  • Molecular FormulaC18H28O3
  • Average mass292.413 Da
  • Monoisotopic mass292.203857 Da
  • ChemSpider ID26362676

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(4aR,4bS,7S,8aS,10aS)-2,7-Dihydroxy-1,4b,7,10a-tetramethyl-4a,4b,5,6,7,8,8a,9,10,10a-decahydro-3(4H)-phenanthrenon [German] [ACD/IUPAC Name]
(4aR,4bS,7S,8aS,10aS)-2,7-Dihydroxy-1,4b,7,10a-tetramethyl-4a,4b,5,6,7,8,8a,9,10,10a-decahydro-3(4H)-phenanthrenone [ACD/IUPAC Name]
(4aR,4bS,7S,8aS,10aS)-2,7-Dihydroxy-1,4b,7,10a-tétraméthyl-4a,4b,5,6,7,8,8a,9,10,10a-décahydro-3(4H)-phénanthrénone [French] [ACD/IUPAC Name]
3(4H)-Phenanthrenone, 4a,4b,5,6,7,8,8a,9,10,10a-decahydro-2,7-dihydroxy-1,4b,7,10a-tetramethyl-, (4aR,4bS,7S,8aS,10aS)- [ACD/Index Name]
tagalsin P

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

Density: 1.1±0.1 g/cm3
Boiling Point: 435.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 79.8±6.0 kJ/mol
Flash Point: 231.0±25.2 °C
Index of Refraction: 1.549
Molar Refractivity: 82.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.35
ACD/LogD (pH 5.5): 3.32
ACD/BCF (pH 5.5): 195.58
ACD/KOC (pH 5.5): 1519.55
ACD/LogD (pH 7.4): 3.31
ACD/BCF (pH 7.4): 193.09
ACD/KOC (pH 7.4): 1500.20
Polar Surface Area: 58 Å2
Polarizability: 32.6±0.5 10-24cm3
Surface Tension: 44.5±3.0 dyne/cm
Molar Volume: 258.1±3.0 cm3

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