Found 40 results

Search term: MF = 'C_{40}H_{66}O_{12}'
ChemSpider 2D Image | Methyl (2S,3R,4S)-4-[(2R,5R,7R,8S)-2-{(2R,2'R,3'S,5R,5'R)-5'-[(2S,3S,5R,6R)-6-(acetoxymethyl)-6-methoxy-3,5-dimethyltetrahydro-2H-pyran-2-yl]-2-ethyl-3'-methyloctahydro-2,2'-bifuran-5-yl}-2,8-dimethyl -9-oxo-1,6-dioxaspiro[4.5]dec-7-yl]-3-methoxy-2-methylpentanoate | C40H66O12

Methyl (2S,3R,4S)-4-[(2R,5R,7R,8S)-2-{(2R,2'R,3'S,5R,5'R)-5'-[(2S,3S,5R,6R)-6-(acetoxymethyl)-6-methoxy-3,5-dimethyltetrahydro-2H-pyran-2-yl]-2-ethyl-3'-methyloctahydro-2,2'-bifuran-5-yl}-2,8-dimethyl -9-oxo-1,6-dioxaspiro[4.5]dec-7-yl]-3-methoxy-2-methylpentanoate

  • Molecular FormulaC40H66O12
  • Average mass738.945 Da
  • Monoisotopic mass738.455444 Da
  • ChemSpider ID8851823

  • defined stereocentres - 16 of 16 defined stereocentres

More details:

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

(2S,3R,4S)-4-[(2R,5R,7R,8S)-2-{(2R,2'R,3'S,5R,5'R)-5'-[(2S,3S,5R,6R)-6-(Acétoxyméthyl)-6-méthoxy-3,5-diméthyltétrahydro-2H-pyran-2-yl]-2-éthyl-3'-méthyloctahydro-2,2'-bifuran-5-yl}-2,8-diméthyl-9-oxo- 1,6-dioxaspiro[4.5]déc-7-yl]-3-méthoxy-2-méthylpentanoate de méthyle [French] [ACD/IUPAC Name]
1,6-Dioxaspiro[4.5]decane-7-butanoic acid, 2-[(2R,2'R,3'S,5R,5'R)-5'-[(2S,3S,5R,6R)-6-[(acetyloxy)methyl]tetrahydro-6-methoxy-3,5-dimethyl-2H-pyran-2-yl]-2-ethyloctahydro-3'-methyl[2,2'-bifuran]-5-yl] ;-β-methoxy-α,γ,2,8-tetramethyl-9-oxo-, methyl ester, (αS,βR,γS,2R,5R,7R,8S)- [ACD/Index Name]
Methyl (2S,3R,4S)-4-[(2R,5R,7R,8S)-2-{(2R,2'R,3'S,5R,5'R)-5'-[(2S,3S,5R,6R)-6-(acetoxymethyl)-6-methoxy-3,5-dimethyltetrahydro-2H-pyran-2-yl]-2-ethyl-3'-methyloctahydro-2,2'-bifuran-5-yl}-2,8-dimethyl -9-oxo-1,6-dioxaspiro[4.5]dec-7-yl]-3-methoxy-2-methylpentanoate [ACD/IUPAC Name]
Methyl-(2S,3R,4S)-4-[(2R,5R,7R,8S)-2-{(2R,2'R,3'S,5R,5'R)-5'-[(2S,3S,5R,6R)-6-(acetoxymethyl)-6-methoxy-3,5-dimethyltetrahydro-2H-pyran-2-yl]-2-ethyl-3'-methyloctahydro-2,2'-bifuran-5-yl}-2,8-dimethyl -9-oxo-1,6-dioxaspiro[4.5]dec-7-yl]-3-methoxy-2-methylpentanoat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 736.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.4±3.0 kJ/mol
Flash Point: 292.3±32.9 °C
Index of Refraction: 1.516
Molar Refractivity: 192.8±0.4 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 5.14
ACD/LogD (pH 5.5): 5.17
ACD/BCF (pH 5.5): 4974.58
ACD/KOC (pH 5.5): 15407.45
ACD/LogD (pH 7.4): 5.17
ACD/BCF (pH 7.4): 4974.58
ACD/KOC (pH 7.4): 15407.45
Polar Surface Area: 134 Å2
Polarizability: 76.4±0.5 10-24cm3
Surface Tension: 44.0±5.0 dyne/cm
Molar Volume: 638.6±5.0 cm3

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