ChemSpider 2D Image | (2S,4R,4aR,4bR,6aS,8aR,11aR,15bS,15cS,17aS)-4-Hydroxy-2-(2-hydroxy-2-propanyl)-4a,9,9,11,11,15b,15c-heptamethyl-3,4,4a,5,6,6a,7,8,8a,9,11,11a,15,15b,15c,16,17,17a-octadecahydro-2H-[2]benzofuro[5,6-e]c hromeno[5',6':6,7]indeno[1,2-b]indol-12(4bH)-one | C38H53NO5

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

  • Molecular FormulaC38H53NO5
  • Average mass603.831 Da
  • Monoisotopic mass603.392395 Da
  • ChemSpider ID30790753

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2S,4R,4aR,4bR,6aS,8aR,11aR,15bS,15cS,17aS)-4-Hydroxy-2-(2-hydroxy-2-propanyl)-4a,9,9,11,11,15b,15c-heptamethyl-3,4,4a,5,6,6a,7,8,8a,9,11,11a,15,15b,15c,16,17,17a-octadecahydro-2H-[2]benzofuro[5,6-e]c hromeno[5',6':6,7]indeno[1,2-b]indol-12(4bH)-on [German] [ACD/IUPAC Name]
(2S,4R,4aR,4bR,6aS,8aR,11aR,15bS,15cS,17aS)-4-Hydroxy-2-(2-hydroxy-2-propanyl)-4a,9,9,11,11,15b,15c-heptamethyl-3,4,4a,5,6,6a,7,8,8a,9,11,11a,15,15b,15c,16,17,17a-octadecahydro-2H-[2]benzofuro[5,6-e]c hromeno[5',6':6,7]indeno[1,2-b]indol-12(4bH)-one [ACD/IUPAC Name]
(2S,4R,4aR,4bR,6aS,8aR,11aR,15bS,15cS,17aS)-4-Hydroxy-2-(2-hydroxy-2-propanyl)-4a,9,9,11,11,15b,15c-heptaméthyl-3,4,4a,5,6,6a,7,8,8a,9,11,11a,15,15b,15c,16,17,17a-octadécahydro-2H-[2]benzofuro[5,6-e]c hroméno[5',6':6,7]indéno[1,2-b]indol-12(4bH)-one [French] [ACD/IUPAC Name]
2H-1-Benzopyrano[5',6':6,7]indeno[1,2-b]isobenzofuro[5,6-e]indol-12(4bH)-one, 3,4,4a,5,6,6a,7,8,8a,9,11,11a,15,15b,15c,16,17,17a-octadecahydro-4-hydroxy-2-(1-hydroxy-1-methylethyl)-4a,9,9,11,11,15b,15 c-heptamethyl-, (2S,4R,4aR,4bR,6aS,8aR,11aR,15bS,15cS,17aS)- [ACD/Index Name]
Lolicine A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 724.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.1±3.0 kJ/mol
Flash Point: 392.0±32.9 °C
Index of Refraction: 1.588
Molar Refractivity: 172.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 7.58
ACD/LogD (pH 5.5): 7.23
ACD/BCF (pH 5.5): 185109.98
ACD/KOC (pH 5.5): 205117.47
ACD/LogD (pH 7.4): 7.23
ACD/BCF (pH 7.4): 185109.98
ACD/KOC (pH 7.4): 205117.47
Polar Surface Area: 92 Å2
Polarizability: 68.2±0.5 10-24cm3
Surface Tension: 46.0±3.0 dyne/cm
Molar Volume: 511.8±3.0 cm3

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