ChemSpider 2D Image | (4aR,4bS,6aR,6bR,7S,8S,9R,10aS,11aS,11bR)-6a-Formyl-9-hydroxy-4a,7-dimethyl-8-(2-methyl-1-propen-1-yl)-1,2,3,4,4a,4b,5,6,6a,6b,7,8,9,10a,11,11a,11b,12-octadecahydronaphtho[2',1':4,5]indeno[2,1-b]pyran -2-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside | C39H60O13

(4aR,4bS,6aR,6bR,7S,8S,9R,10aS,11aS,11bR)-6a-Formyl-9-hydroxy-4a,7-dimethyl-8-(2-methyl-1-propen-1-yl)-1,2,3,4,4a,4b,5,6,6a,6b,7,8,9,10a,11,11a,11b,12-octadecahydronaphtho[2',1':4,5]indeno[2,1-b]pyran -2-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside

  • Molecular FormulaC39H60O13
  • Average mass736.886 Da
  • Monoisotopic mass736.403381 Da
  • ChemSpider ID8946589

  • defined stereocentres - 20 of 21 defined stereocentres

More details:

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

(4aR,4bS,6aR,6bR,7S,8S,9R,10aS,11aS,11bR)-6a-Formyl-9-hydroxy-4a,7-dimethyl-8-(2-methyl-1-propen-1-yl)-1,2,3,4,4a,4b,5,6,6a,6b,7,8,9,10a,11,11a,11b,12-octadecahydronaphtho[2',1':4,5]indeno[2,1-b]pyran ;-2-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside [ACD/IUPAC Name]
(4aR,4bS,6aR,6bR,7S,8S,9R,10aS,11aS,11bR)-6a-Formyl-9-hydroxy-4a,7-dimethyl-8-(2-methyl-1-propen-1-yl)-1,2,3,4,4a,4b,5,6,6a,6b,7,8,9,10a,11,11a,11b,12-octadecahydronaphtho[2',1':4,5]indeno[2,1-b]pyran ;-2-yl-2-O-(6-desoxy-α-L-mannopyranosyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2-O-(6-Désoxy-α-L-mannopyranosyl)-β-D-glucopyranoside de (4aR,4bS,6aR,6bR,7S,8S,9R,10aS,11aS,11bR)-6a-formyl-9-hydroxy-4a,7-diméthyl-8-(2-méthyl-1-propén-1-yl)-1,2,3,4,4a,4b,5,6,6a,6b,7,8,9,10a ,11,11a,11b,12-octadécahydronaphto[2',1':4,5]indéno[2,1-b]pyran-2-yle [French] [ACD/IUPAC Name]
Naphth[2',1':4,5]indeno[2,1-b]pyran-6a(2H)-carboxaldehyde, 2-[[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-1,3,4,4a,4b,5,6,6b,7,8,9,10a,11,11a,11b,12-hexadecahydro-9-hydroxy-4a,7-d imethyl-8-(2-methyl-1-propen-1-yl)-, (4aR,4bS,6aR,6bR,7S,8S,9R,10aS,11aS,11bR)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 871.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 143.9±6.0 kJ/mol
Flash Point: 262.4±27.8 °C
Index of Refraction: 1.612
Molar Refractivity: 187.1±0.4 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 4
ACD/LogP: 5.52
ACD/LogD (pH 5.5): 3.80
ACD/BCF (pH 5.5): 454.51
ACD/KOC (pH 5.5): 2778.89
ACD/LogD (pH 7.4): 3.80
ACD/BCF (pH 7.4): 454.50
ACD/KOC (pH 7.4): 2778.85
Polar Surface Area: 205 Å2
Polarizability: 74.2±0.5 10-24cm3
Surface Tension: 66.6±5.0 dyne/cm
Molar Volume: 538.1±5.0 cm3

Click to predict properties on the Chemicalize site


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