Found 14 results

Search term: MF = 'C_{39}H_{60}O_{9}'
ChemSpider 2D Image | (5S)-6-{(1Z,3S,5E,7E,10S,11R)-10-{[(2R,5R,6S)-5-{[(2R,5R,6S)-5-Hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-6-methyltetrahydro-2H-pyran-2-yl]oxy}-3,5,7-trimethyl-11-[(2S,3R)-3-methyl-6-oxotetrahydro- 2H-pyran-2-yl]-1,5,7-dodecatrien-1-yl}-5-methyl-5,6-dihydro-2H-pyran-2-one | C39H60O9

(5S)-6-{(1Z,3S,5E,7E,10S,11R)-10-{[(2R,5R,6S)-5-{[(2R,5R,6S)-5-Hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-6-methyltetrahydro-2H-pyran-2-yl]oxy}-3,5,7-trimethyl-11-[(2S,3R)-3-methyl-6-oxotetrahydro- 2H-pyran-2-yl]-1,5,7-dodecatrien-1-yl}-5-methyl-5,6-dihydro-2H-pyran-2-one

  • Molecular FormulaC39H60O9
  • Average mass672.888 Da
  • Monoisotopic mass672.423706 Da
  • ChemSpider ID78440402

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 12 of 13 defined stereocentres

More details:

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

(5S)-6-{(1Z,3S,5E,7E,10S,11R)-10-{[(2R,5R,6S)-5-{[(2R,5R,6S)-5-Hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-6-methyltetrahydro-2H-pyran-2-yl]oxy}-3,5,7-trimethyl-11-[(2S,3R)-3-methyl-6-oxotetrahydro- 2H-pyran-2-yl]-1,5,7-dodecatrien-1-yl}-5-methyl-5,6-dihydro-2H-pyran-2-on [German] [ACD/IUPAC Name]
(5S)-6-{(1Z,3S,5E,7E,10S,11R)-10-{[(2R,5R,6S)-5-{[(2R,5R,6S)-5-Hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-6-methyltetrahydro-2H-pyran-2-yl]oxy}-3,5,7-trimethyl-11-[(2S,3R)-3-methyl-6-oxotetrahydro- 2H-pyran-2-yl]-1,5,7-dodecatrien-1-yl}-5-methyl-5,6-dihydro-2H-pyran-2-one [ACD/IUPAC Name]
(5S)-6-{(1Z,3S,5E,7E,10S,11R)-10-{[(2R,5R,6S)-5-{[(2R,5R,6S)-5-Hydroxy-6-méthyltétrahydro-2H-pyran-2-yl]oxy}-6-méthyltétrahydro-2H-pyran-2-yl]oxy}-3,5,7-triméthyl-11-[(2S,3R)-3-méthyl-6-oxotétrahydro- 2H-pyran-2-yl]-1,5,7-dodécatrién-1-yl}-5-méthyl-5,6-dihydro-2H-pyran-2-one [French] [ACD/IUPAC Name]
2H-Pyran-2-one, 6-[(1R,2S,4E,6E,9S,10Z)-11-[(3S)-3,6-dihydro-3-methyl-6-oxo-2H-pyran-2-yl]-1,5,7,9-tetramethyl-2-[[(2R,5R,6S)-tetrahydro-6-methyl-5-[[(2R,5R,6S)-tetrahydro-5-hydroxy-6-methyl-2H-pyran- 2-yl]oxy]-2H-pyran-2-yl]oxy]-4,6,10-undecatrien-1-yl]tetrahydro-5-methyl-, (5R,6S)- [ACD/Index Name]
Lycoperdinoside A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 796.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 132.0±6.0 kJ/mol
Flash Point: 236.8±26.4 °C
Index of Refraction: 1.535
Molar Refractivity: 185.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 5.44
ACD/LogD (pH 5.5): 5.58
ACD/BCF (pH 5.5): 10194.83
ACD/KOC (pH 5.5): 25750.61
ACD/LogD (pH 7.4): 5.58
ACD/BCF (pH 7.4): 10194.83
ACD/KOC (pH 7.4): 25750.61
Polar Surface Area: 110 Å2
Polarizability: 73.6±0.5 10-24cm3
Surface Tension: 44.6±5.0 dyne/cm
Molar Volume: 596.2±5.0 cm3

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