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Search term: JDDYDTDIIFQNAG (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Phomoarcherin C | C23H30O4

Phomoarcherin C

  • Molecular FormulaC23H30O4
  • Average mass370.482 Da
  • Monoisotopic mass370.214417 Da
  • ChemSpider ID26348089

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(4aR,6aS,12aR,12bS)-11-Hydroxy-4,4,6a,9,12b-pentamethyl-3-oxo-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2H-benzo[a]xanthen-8-carbaldehyd [German] [ACD/IUPAC Name]
(4aR,6aS,12aR,12bS)-11-Hydroxy-4,4,6a,9,12b-pentamethyl-3-oxo-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2H-benzo[a]xanthene-8-carbaldehyde [ACD/IUPAC Name]
(4aR,6aS,12aR,12bS)-11-Hydroxy-4,4,6a,9,12b-pentaméthyl-3-oxo-1,3,4,4a,5,6,6a,12,12a,12b-décahydro-2H-benzo[a]xanthène-8-carbaldéhyde [French] [ACD/IUPAC Name]
2H-Benzo[a]xanthene-8-carboxaldehyde, 1,3,4,4a,5,6,6a,12,12a,12b-decahydro-11-hydroxy-4,4,6a,9,12b-pentamethyl-3-oxo-, (4aR,6aS,12aR,12bS)- [ACD/Index Name]
Phomoarcherin C
(4aR,6aS,12aR,12bS)-11-hydroxy-4,4,6a,9,12b-pentamethyl-3-oxo-2,4a,5,6,12,12a-hexahydro-1H-benzo[a]xanthene-8-carbaldehyde

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

Density: 1.1±0.1 g/cm3
Boiling Point: 514.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.6±3.0 kJ/mol
Flash Point: 174.4±23.6 °C
Index of Refraction: 1.567
Molar Refractivity: 105.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.27
ACD/LogD (pH 5.5): 5.21
ACD/BCF (pH 5.5): 5377.14
ACD/KOC (pH 5.5): 16270.07
ACD/LogD (pH 7.4): 5.09
ACD/BCF (pH 7.4): 4021.72
ACD/KOC (pH 7.4): 12168.86
Polar Surface Area: 64 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 43.1±3.0 dyne/cm
Molar Volume: 322.0±3.0 cm3

Click to predict properties on the Chemicalize site


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