ChemSpider 2D Image | (2S,6R,6aR,12bS)-3,3,6,6a-Tetramethyl-1,2,3,4,5,6,6a,7,12,12b-decahydronaphtho[1,8-ab]carbazol-2-ol | C23H29NO

(2S,6R,6aR,12bS)-3,3,6,6a-Tetramethyl-1,2,3,4,5,6,6a,7,12,12b-decahydronaphtho[1,8-ab]carbazol-2-ol

  • Molecular FormulaC23H29NO
  • Average mass335.483 Da
  • Monoisotopic mass335.224915 Da
  • ChemSpider ID24676359

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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(2S,6R,6aR,12bS)-3,3,6,6a-Tetramethyl-1,2,3,4,5,6,6a,7,12,12b-decahydronaphtho[1,8-ab]carbazol-2-ol [German] [ACD/IUPAC Name]
(2S,6R,6aR,12bS)-3,3,6,6a-Tetramethyl-1,2,3,4,5,6,6a,7,12,12b-decahydronaphtho[1,8-ab]carbazol-2-ol [ACD/IUPAC Name]
(2S,6R,6aR,12bS)-3,3,6,6a-Tétraméthyl-1,2,3,4,5,6,6a,7,12,12b-décahydronaphto[1,8-ab]carbazol-2-ol [French] [ACD/IUPAC Name]
Naphtho[1,8-ab]carbazol-2-ol, 1,2,3,4,5,6,6a,7,12,12b-decahydro-3,3,6,6a-tetramethyl-, (2S,6R,6aR,12bS)- [ACD/Index Name]
pentacyclindole

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

Density: 1.2±0.1 g/cm3
Boiling Point: 494.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.2±3.0 kJ/mol
Flash Point: 252.6±28.7 °C
Index of Refraction: 1.639
Molar Refractivity: 102.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 6.23
ACD/LogD (pH 5.5): 6.40
ACD/BCF (pH 5.5): 42949.53
ACD/KOC (pH 5.5): 72086.57
ACD/LogD (pH 7.4): 6.40
ACD/BCF (pH 7.4): 42949.58
ACD/KOC (pH 7.4): 72086.65
Polar Surface Area: 36 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 51.8±5.0 dyne/cm
Molar Volume: 284.8±5.0 cm3

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