Found 41 results

Search term: MF = 'C_{35}H_{50}O_{8}'
ChemSpider 2D Image | (1'R,2R,4'S,5S,6R,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-6-[(2R)-2-Butanyl]-12',21',24'-trihydroxy-5,8',11',13',22'-pentamethyl-5,6-dihydro-2'H-spiro[pyran-2,6'-[3,7,19]trioxatetracyclo[15.6.1.1 ~4,8~.0~20,24~]pentacosa[10,14,16,22]tetraen]-2'-one | C35H50O8

(1'R,2R,4'S,5S,6R,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-6-[(2R)-2-Butanyl]-12',21',24'-trihydroxy-5,8',11',13',22'-pentamethyl-5,6-dihydro-2'H-spiro[pyran-2,6'-[3,7,19]trioxatetracyclo[15.6.1.1 4,8.020,24]pentacosa[10,14,16,22]tetraen]-2'-one

  • Molecular FormulaC35H50O8
  • Average mass598.767 Da
  • Monoisotopic mass598.350586 Da
  • ChemSpider ID8350860

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 12 defined stereocentres

More details:

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

(1'R,2R,4'S,5S,6R,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-6-[(2R)-2-Butanyl]-12',21',24'-trihydroxy-5,8',11',13',22'-pentamethyl-5,6-dihydro-2'H-spiro[pyran-2,6'-[3,7,19]trioxatetracyclo[15.6.1.1 ;4,8.020,24]pentacosa[10,14,16,22]tetraen]-2'-one [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: 773.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 128.4±6.0 kJ/mol
Flash Point: 240.6±26.4 °C
Index of Refraction: 1.584
Molar Refractivity: 164.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 5.81
ACD/LogD (pH 5.5): 5.31
ACD/BCF (pH 5.5): 6415.37
ACD/KOC (pH 5.5): 18484.21
ACD/LogD (pH 7.4): 5.31
ACD/BCF (pH 7.4): 6415.29
ACD/KOC (pH 7.4): 18483.97
Polar Surface Area: 115 Å2
Polarizability: 65.1±0.5 10-24cm3
Surface Tension: 52.2±5.0 dyne/cm
Molar Volume: 491.1±5.0 cm3

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