ChemSpider 2D Image | (2S,4R,4aS,4bR,6aS,8aR,11aR,15bS,15cS,17aS)-4-Hydroxy-2-(2-hydroxy-2-propanyl)-9,9,11,11,15b,15c-hexamethyl-12-oxo-3,4,5,6,6a,7,8,8a,9,11,11a,12,15,15b,15c,16,17,17a-octadecahydro-2H-[2]benzofuro[5,6- e]chromeno[5',6':6,7]indeno[1,2-b]indole-4a(4bH)-carbaldehyde | C38H51NO6

(2S,4R,4aS,4bR,6aS,8aR,11aR,15bS,15cS,17aS)-4-Hydroxy-2-(2-hydroxy-2-propanyl)-9,9,11,11,15b,15c-hexamethyl-12-oxo-3,4,5,6,6a,7,8,8a,9,11,11a,12,15,15b,15c,16,17,17a-octadecahydro-2H-[2]benzofuro[5,6- e]chromeno[5',6':6,7]indeno[1,2-b]indole-4a(4bH)-carbaldehyde

  • Molecular FormulaC38H51NO6
  • Average mass617.815 Da
  • Monoisotopic mass617.371643 Da
  • ChemSpider ID30790752

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2S,4R,4aS,4bR,6aS,8aR,11aR,15bS,15cS,17aS)-4-Hydroxy-2-(2-hydroxy-2-propanyl)-9,9,11,11,15b,15c-hexamethyl-12-oxo-3,4,5,6,6a,7,8,8a,9,11,11a,12,15,15b,15c,16,17,17a-octadecahydro-2H-[2]benzofuro[5,6- e]chromeno[5',6':6,7]indeno[1,2-b]indol-4a(4bH)-carbaldehyd [German] [ACD/IUPAC Name]
(2S,4R,4aS,4bR,6aS,8aR,11aR,15bS,15cS,17aS)-4-Hydroxy-2-(2-hydroxy-2-propanyl)-9,9,11,11,15b,15c-hexamethyl-12-oxo-3,4,5,6,6a,7,8,8a,9,11,11a,12,15,15b,15c,16,17,17a-octadecahydro-2H-[2]benzofuro[5,6- e]chromeno[5',6':6,7]indeno[1,2-b]indole-4a(4bH)-carbaldehyde [ACD/IUPAC Name]
(2S,4R,4aS,4bR,6aS,8aR,11aR,15bS,15cS,17aS)-4-Hydroxy-2-(2-hydroxy-2-propanyl)-9,9,11,11,15b,15c-hexaméthyl-12-oxo-3,4,5,6,6a,7,8,8a,9,11,11a,12,15,15b,15c,16,17,17a-octadécahydro-2H-[2]benzofuro[5,6- e]chroméno[5',6':6,7]indéno[1,2-b]indole-4a(4bH)-carbaldéhyde [French] [ACD/IUPAC Name]
2H-1-Benzopyrano[5',6':6,7]indeno[1,2-b]isobenzofuro[5,6-e]indole-4a(4bH)-carboxaldehyde, 3,4,5,6,6a,7,8,8a,9,11,11a,12,15,15b,15c,16,17,17a-octadecahydro-4-hydroxy-2-(1-hydroxy-1-methylethyl)-9,9,11, 11,15b,15c-hexamethyl-12-oxo-, (2S,4R,4aS,4bR,6aS,8aR,11aR,15bS,15cS,17aS)- [ACD/Index Name]
Lolicine B

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

Density: 1.2±0.1 g/cm3
Boiling Point: 752.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 115.1±3.0 kJ/mol
Flash Point: 408.9±32.9 °C
Index of Refraction: 1.615
Molar Refractivity: 174.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 6.78
ACD/LogD (pH 5.5): 6.47
ACD/BCF (pH 5.5): 48725.63
ACD/KOC (pH 5.5): 78900.36
ACD/LogD (pH 7.4): 6.47
ACD/BCF (pH 7.4): 48725.63
ACD/KOC (pH 7.4): 78900.36
Polar Surface Area: 109 Å2
Polarizability: 69.0±0.5 10-24cm3
Surface Tension: 52.5±3.0 dyne/cm
Molar Volume: 498.4±3.0 cm3

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