ChemSpider 2D Image | (2S,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]py ran-2-yl 2-O-[6-deoxy-4-O-(4-methoxybenzoyl)-alpha-L-mannopyranosyl]-beta-D-glucopyranoside | C47H66O15

(2S,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]py ran-2-yl 2-O-[6-deoxy-4-O-(4-methoxybenzoyl)-α-L-mannopyranosyl]-β-D-glucopyranoside

  • Molecular FormulaC47H66O15
  • Average mass871.018 Da
  • Monoisotopic mass870.440186 Da
  • ChemSpider ID8638751

  • defined stereocentres - 21 of 21 defined stereocentres

More details:

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

(2S,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]py ;ran-2-yl 2-O-[6-deoxy-4-O-(4-methoxybenzoyl)-α-L-mannopyranosyl]-β-D-glucopyranoside [ACD/IUPAC Name]
(2S,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]py ;ran-2-yl-2-O-[6-desoxy-4-O-(4-methoxybenzoyl)-α-L-mannopyranosyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2-O-[6-Désoxy-4-O-(4-méthoxybenzoyl)-α-L-mannopyranosyl]-β-D-glucopyranoside de (2S,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-4-O-(4-methoxybenzoyl)-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,8S,9R,10aS,11aS,11bR)- [ACD/Index Name]
174867-65-3 [RN]
Saundersioside F

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

Density: 1.4±0.1 g/cm3
Boiling Point: 961.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 146.6±3.0 kJ/mol
Flash Point: 278.1±27.8 °C
Index of Refraction: 1.616
Molar Refractivity: 223.1±0.4 cm3
#H bond acceptors: 15
#H bond donors: 6
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 4
ACD/LogP: 7.94
ACD/LogD (pH 5.5): 5.88
ACD/BCF (pH 5.5): 17178.66
ACD/KOC (pH 5.5): 37410.40
ACD/LogD (pH 7.4): 5.88
ACD/BCF (pH 7.4): 17178.33
ACD/KOC (pH 7.4): 37409.70
Polar Surface Area: 220 Å2
Polarizability: 88.5±0.5 10-24cm3
Surface Tension: 65.8±5.0 dyne/cm
Molar Volume: 638.5±5.0 cm3

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