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Search term: 81360787 (Found by CSID)
ChemSpider 2D Image | penerpene F | C24H27NO3

penerpene F

  • Molecular FormulaC24H27NO3
  • Average mass377.476 Da
  • Monoisotopic mass377.199097 Da
  • ChemSpider ID81360787

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(4bS,6aS,12bS,12cR,14aS)-4b-Hydroxy-12b,12c-dimethyl-5,6,6a,7,12,12b,12c,13,14,14a-decahydro-2H-chromeno[5',6':6,7]indeno[1,2-b]indol-3(4bH)-on [German] [ACD/IUPAC Name]
(4bS,6aS,12bS,12cR,14aS)-4b-Hydroxy-12b,12c-dimethyl-5,6,6a,7,12,12b,12c,13,14,14a-decahydro-2H-chromeno[5',6':6,7]indeno[1,2-b]indol-3(4bH)-one [ACD/IUPAC Name]
(4bS,6aS,12bS,12cR,14aS)-4b-Hydroxy-12b,12c-diméthyl-5,6,6a,7,12,12b,12c,13,14,14a-décahydro-2H-chroméno[5',6':6,7]indéno[1,2-b]indol-3(4bH)-one [French] [ACD/IUPAC Name]
2H-1-Benzopyrano[5',6':6,7]indeno[1,2-b]indol-3(4bH)-one, 5,6,6a,7,12,12b,12c,13,14,14a-decahydro-4b-hydroxy-12b,12c-dimethyl-, (4bS,6aS,12bS,12cR,14aS)- [ACD/Index Name]
penerpene F

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

Density: 1.3±0.1 g/cm3
Boiling Point: 599.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.9±3.0 kJ/mol
Flash Point: 316.5±30.1 °C
Index of Refraction: 1.676
Molar Refractivity: 107.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.31
ACD/LogD (pH 5.5): 3.51
ACD/BCF (pH 5.5): 273.54
ACD/KOC (pH 5.5): 1932.08
ACD/LogD (pH 7.4): 3.51
ACD/BCF (pH 7.4): 273.54
ACD/KOC (pH 7.4): 1932.08
Polar Surface Area: 62 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 62.8±5.0 dyne/cm
Molar Volume: 285.0±5.0 cm3

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