Found 15 results

Search term: MF = 'C_{36}H_{50}O_{14}'
ChemSpider 2D Image | briarlide I | C36H50O14

briarlide I

  • Molecular FormulaC36H50O14
  • Average mass706.774 Da
  • Monoisotopic mass706.320068 Da
  • ChemSpider ID10480449

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(1S,2R,4aS,5R,6R,7S,8Z,9aS,12aS,13R,13aS)-2,5,6,13-Tetraacetoxy-1-hydroxy-1,4a,8,11a-tetramethyl-11-oxo-2,4a,5,6,7,9a,11,11a,13,13a-decahydro-1H-benzo[4,5]cyclodeca[1,2-b]oxireno[c]furan-7-yl octanoat e [ACD/IUPAC Name]
(1S,2R,4aS,5R,6R,7S,8Z,9aS,12aS,13R,13aS)-2,5,6,13-Tetraacetoxy-1-hydroxy-1,4a,8,11a-tetramethyl-11-oxo-2,4a,5,6,7,9a,11,11a,13,13a-decahydro-1H-benzo[4,5]cyclodeca[1,2-b]oxireno[c]furan-7-yl-octanoat [German] [ACD/IUPAC Name]
briarlide I
Octanoate de (1S,2R,4aS,5R,6R,7S,8Z,9aS,12aS,13R,13aS)-2,5,6,13-tétraacétoxy-1-hydroxy-1,4a,8,11a-tétraméthyl-11-oxo-2,4a,5,6,7,9a,11,11a,13,13a-décahydro-1H-benzo[4,5]cyclodéca[1,2-b]oxiréno[c]furan- 7-yle [French] [ACD/IUPAC Name]
Octanoic acid, (1S,2R,4aS,5R,6R,7S,8Z,9aS,12aS,13R,13aS)-2,5,6,13-tetrakis(acetyloxy)-2,4a,5,6,7,9a,11,11a,13,13a-decahydro-1-hydroxy-1,4a,8,11a-tetramethyl-11-oxo-1H-benzo[4,5]cyclodec[1,2-b]oxireno[ c]furan-7-yl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 708.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.4±6.0 kJ/mol
Flash Point: 208.2±26.4 °C
Index of Refraction: 1.544
Molar Refractivity: 174.5±0.4 cm3
#H bond acceptors: 14
#H bond donors: 1
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 4.49
ACD/LogD (pH 5.5): 4.76
ACD/BCF (pH 5.5): 2440.49
ACD/KOC (pH 5.5): 9254.49
ACD/LogD (pH 7.4): 4.76
ACD/BCF (pH 7.4): 2440.49
ACD/KOC (pH 7.4): 9254.46
Polar Surface Area: 191 Å2
Polarizability: 69.2±0.5 10-24cm3
Surface Tension: 52.6±5.0 dyne/cm
Molar Volume: 552.3±5.0 cm3

Click to predict properties on the Chemicalize site


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