ChemSpider 2D Image | (2S,4aR,4bS,6aR,6bR,7S,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-4-O-(4-hydroxybenzoyl)-alpha-L-mannopyranosyl]-beta-D-glucopyranoside | C46H64O15

(2S,4aR,4bS,6aR,6bR,7S,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-4-O-(4-hydroxybenzoyl)-α-L-mannopyranosyl]-β-D-glucopyranoside

  • Molecular FormulaC46H64O15
  • Average mass856.991 Da
  • Monoisotopic mass856.424500 Da
  • ChemSpider ID57641772
  • defined stereocentres - 20 of 21 defined stereocentres


More details:






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

(2S,4aR,4bS,6aR,6bR,7S,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-4-O-(4-hydroxybenzoyl)-α-L-mannopyranosyl]-β-D-glucopyranoside [ACD/IUPAC Name]
(2S,4aR,4bS,6aR,6bR,7S,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-4-O-(4-hydroxybenzoyl)-α-L-mannopyranosyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2-O-[6-Désoxy-4-O-(4-hydroxybenzoyl)-α-L-mannopyranosyl]-β-D-glucopyranoside de (2S,4aR,4bS,6aR,6bR,7S,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-4-O-(4-hydroxybenzoyl)-α-L-mannopyranosyl]-β-D-glucopyranosyl]oxy]-1,3,4,4a,4b,5,6,6b,7,8,9,10a,11,11a,11b,12-hexadec ahydro-9-hydroxy-4a,7-dimethyl-8-(2-methyl-1-propen-1-yl)-, (2S,4aR,4bS,6aR,6bR,7S,9R,10aS,11aS,11bR)- [ACD/Index Name]
153005-22-2 [RN]
Saundersioside E

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 969.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 148.0±3.0 kJ/mol
Flash Point: 283.0±27.8 °C
Index of Refraction: 1.630
Molar Refractivity: 218.3±0.4 cm3
#H bond acceptors: 15
#H bond donors: 7
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 4
ACD/LogP: 7.53
ACD/LogD (pH 5.5): 5.81
ACD/BCF (pH 5.5): 15281.35
ACD/KOC (pH 5.5): 34378.38
ACD/LogD (pH 7.4): 5.73
ACD/BCF (pH 7.4): 12669.94
ACD/KOC (pH 7.4): 28503.51
Polar Surface Area: 231 Å2
Polarizability: 86.5±0.5 10-24cm3
Surface Tension: 69.9±5.0 dyne/cm
Molar Volume: 613.8±5.0 cm3

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