ChemSpider 2D Image | (1R,2R,4aS,4bR,8R,8aS,9S,10aR)-2-[(2R)-2-Methoxy-2-methyl-5-oxo-2,5-dihydro-3-furanyl]-2,4b-dimethyl-7-oxotetradecahydrophenanthrene-1,8,9-triyl triacetate | C28H38O10

(1R,2R,4aS,4bR,8R,8aS,9S,10aR)-2-[(2R)-2-Methoxy-2-methyl-5-oxo-2,5-dihydro-3-furanyl]-2,4b-dimethyl-7-oxotetradecahydrophenanthrene-1,8,9-triyl triacetate

  • Molecular FormulaC28H38O10
  • Average mass534.595 Da
  • Monoisotopic mass534.246521 Da
  • ChemSpider ID10315166

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1R,2R,4aS,4bR,8R,8aS,9S,10aR)-2-[(2R)-2-Methoxy-2-methyl-5-oxo-2,5-dihydro-3-furanyl]-2,4b-dimethyl-7-oxotetradecahydrophenanthren-1,8,9-triyl-triacetat [German] [ACD/IUPAC Name]
(1R,2R,4aS,4bR,8R,8aS,9S,10aR)-2-[(2R)-2-Methoxy-2-methyl-5-oxo-2,5-dihydro-3-furanyl]-2,4b-dimethyl-7-oxotetradecahydrophenanthrene-1,8,9-triyl triacetate [ACD/IUPAC Name]
(1R,2R,4aS,4bR,8R,8aS,9S,10aR)-2-[(2R)-2-Methoxy-2-methyl-5-oxo-2,5-dihydrofuran-3-yl]-2,4b-dimethyl-7-oxotetradecahydrophenanthrene-1,8,9-triyl triacetate
2(5H)-Furanone, 5-methoxy-5-methyl-4-[(1R,2R,4aS,4bR,8R,8aS,9S,10aR)-1,8,9-tris(acetyloxy)tetradecahydro-2,4b-dimethyl-7-oxo-2-phenanthrenyl]-, (5R)- [ACD/Index Name]
Triacétate de (1R,2R,4aS,4bR,8R,8aS,9S,10aR)-2-[(2R)-2-méthoxy-2-méthyl-5-oxo-2,5-dihydro-3-furanyl]-2,4b-diméthyl-7-oxotétradécahydrophénanthrène-1,8,9-triyle [French] [ACD/IUPAC Name]
135247-46-0 [RN]
tylogenin

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

Density: 1.3±0.1 g/cm3
Boiling Point: 626.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.7±3.0 kJ/mol
Flash Point: 263.4±31.5 °C
Index of Refraction: 1.537
Molar Refractivity: 132.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.71
ACD/LogD (pH 5.5): 2.36
ACD/BCF (pH 5.5): 36.42
ACD/KOC (pH 5.5): 456.30
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 36.42
ACD/KOC (pH 7.4): 456.30
Polar Surface Area: 132 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 49.0±5.0 dyne/cm
Molar Volume: 424.0±5.0 cm3

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