ChemSpider 2D Image | NINANDROGRAPHOLIDE | C26H40O9

NINANDROGRAPHOLIDE

  • Molecular FormulaC26H40O9
  • Average mass496.590 Da
  • Monoisotopic mass496.267242 Da
  • ChemSpider ID24700010

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

{(1R,2R,4aS,5R,8aS)-2-Hydroxy-1,4a-dimethyl-6-methylen-5-[2-(2-oxo-2,5-dihydro-3-furanyl)ethyl]decahydro-1-naphthalinyl}methyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
{(1R,2R,4aS,5R,8aS)-2-Hydroxy-1,4a-dimethyl-6-methylene-5-[2-(2-oxo-2,5-dihydro-3-furanyl)ethyl]decahydro-1-naphthalenyl}methyl β-D-glucopyranoside [ACD/IUPAC Name]
2(5H)-Furanone, 3-[2-[(1R,4aS,5R,6R,8aS)-5-[(β-D-glucopyranosyloxy)methyl]decahydro-6-hydroxy-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethyl]- [ACD/Index Name]
82209-72-1 [RN]
NINANDROGRAPHOLIDE
β-D-Glucopyranoside de {(1R,2R,4aS,5R,8aS)-2-hydroxy-1,4a-diméthyl-6-méthylène-5-[2-(2-oxo-2,5-dihydro-3-furanyl)éthyl]décahydro-1-naphtalényl}méthyle [French] [ACD/IUPAC Name]
4-[2-[(4aS,5R,6R,8aS)-6-hydroxy-5,8a-dimethyl-2-methylidene-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one
Andropanoside
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL482237/

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

Z87B39FVT4 [DBID]
UNII:Z87B39FVT4 [DBID]
UNII-Z87B39FVT4 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 704.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 117.8±6.0 kJ/mol
Flash Point: 232.7±26.4 °C
Index of Refraction: 1.589
Molar Refractivity: 126.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 0.36
ACD/LogD (pH 5.5): 0.88
ACD/BCF (pH 5.5): 2.73
ACD/KOC (pH 5.5): 71.43
ACD/LogD (pH 7.4): 0.88
ACD/BCF (pH 7.4): 2.73
ACD/KOC (pH 7.4): 71.43
Polar Surface Area: 146 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 61.6±5.0 dyne/cm
Molar Volume: 374.9±5.0 cm3

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