Found 29 results

Search term: MF = 'C_{34}H_{48}O_{12}'
ChemSpider 2D Image | briarlide L | C34H48O12

briarlide L

  • Molecular FormulaC34H48O12
  • Average mass648.738 Da
  • Monoisotopic mass648.314575 Da
  • ChemSpider ID10480450

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1S,2R,4aS,5S,7R,8Z,9aS,12aS,13R,13aS)-2,5,13-Triacetoxy-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 octanoate [ACD/IUPAC Name]
(1S,2R,4aS,5S,7R,8Z,9aS,12aS,13R,13aS)-2,5,13-Triacetoxy-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 L
Octanoate de (1S,2R,4aS,5S,7R,8Z,9aS,12aS,13R,13aS)-2,5,13-triacétoxy-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,5S,7R,8Z,9aS,12aS,13R,13aS)-2,5,13-tris(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: 684.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.9±6.0 kJ/mol
Flash Point: 205.3±25.0 °C
Index of Refraction: 1.545
Molar Refractivity: 163.4±0.4 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 4.64
ACD/LogD (pH 5.5): 4.87
ACD/BCF (pH 5.5): 2937.94
ACD/KOC (pH 5.5): 10568.67
ACD/LogD (pH 7.4): 4.87
ACD/BCF (pH 7.4): 2937.93
ACD/KOC (pH 7.4): 10568.64
Polar Surface Area: 164 Å2
Polarizability: 64.8±0.5 10-24cm3
Surface Tension: 51.3±5.0 dyne/cm
Molar Volume: 517.1±5.0 cm3

Click to predict properties on the Chemicalize site


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