ChemSpider 2D Image | 2-[(2S,4bR,6aS,12bS,12cS,14aS)-12b,12c-Dimethyl-3,4b,5,6,6a,7,12,12b,12c,13,14,14a-dodecahydro-2H-chromeno[5',6':6,7]indeno[1,2-b]indol-2-yl]-2-propanol | C27H35NO2

2-[(2S,4bR,6aS,12bS,12cS,14aS)-12b,12c-Dimethyl-3,4b,5,6,6a,7,12,12b,12c,13,14,14a-dodecahydro-2H-chromeno[5',6':6,7]indeno[1,2-b]indol-2-yl]-2-propanol

  • Molecular FormulaC27H35NO2
  • Average mass405.572 Da
  • Monoisotopic mass405.266785 Da
  • ChemSpider ID30771017

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

2-[(2S,4bR,6aS,12bS,12cS,14aS)-12b,12c-Dimethyl-3,4b,5,6,6a,7,12,12b,12c,13,14,14a-dodecahydro-2H-chromeno[5',6':6,7]indeno[1,2-b]indol-2-yl]-2-propanol [German] [ACD/IUPAC Name]
2-[(2S,4bR,6aS,12bS,12cS,14aS)-12b,12c-Dimethyl-3,4b,5,6,6a,7,12,12b,12c,13,14,14a-dodecahydro-2H-chromeno[5',6':6,7]indeno[1,2-b]indol-2-yl]-2-propanol [ACD/IUPAC Name]
2-[(2S,4bR,6aS,12bS,12cS,14aS)-12b,12c-Diméthyl-3,4b,5,6,6a,7,12,12b,12c,13,14,14a-dodécahydro-2H-chroméno[5',6':6,7]indéno[1,2-b]indol-2-yl]-2-propanol [French] [ACD/IUPAC Name]
2H-1-Benzopyrano[5',6':6,7]indeno[1,2-b]indole-2-methanol, 3,4b,5,6,6a,7,12,12b,12c,13,14,14a-dodecahydro-α,α,12b,12c-tetramethyl-, (2S,4bR,6aS,12bS,12cS,14aS)- [ACD/Index Name]
3-deoxo-4b-deoxypaxilline

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

Density: 1.2±0.1 g/cm3
Boiling Point: 558.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.4±3.0 kJ/mol
Flash Point: 291.5±30.1 °C
Index of Refraction: 1.635
Molar Refractivity: 120.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 6.14
ACD/LogD (pH 5.5): 5.95
ACD/BCF (pH 5.5): 19666.64
ACD/KOC (pH 5.5): 41213.39
ACD/LogD (pH 7.4): 5.95
ACD/BCF (pH 7.4): 19666.67
ACD/KOC (pH 7.4): 41213.44
Polar Surface Area: 45 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 53.4±5.0 dyne/cm
Molar Volume: 337.8±5.0 cm3

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