Found 1 result

Search term: BWOBRYTZMROGDR (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1S,2R)-4-{(1E,3E,5E,7E,9E,11E,13E,15E)-18-[2,3-Dimethyl-5-(2-oxopropyl)tetrahydro-2-furanyl]-3,7,12,16-tetramethyl-17-oxo-1,3,5,7,9,11,13,15-octadecaoctaen-1-yl}-3,5,5-trimethyl-3-cyclohexene-1,2-diy l diacetate | C44H60O7

(1S,2R)-4-{(1E,3E,5E,7E,9E,11E,13E,15E)-18-[2,3-Dimethyl-5-(2-oxopropyl)tetrahydro-2-furanyl]-3,7,12,16-tetramethyl-17-oxo-1,3,5,7,9,11,13,15-octadecaoctaen-1-yl}-3,5,5-trimethyl-3-cyclohexene-1,2-diy l diacetate

  • Molecular FormulaC44H60O7
  • Average mass700.943 Da
  • Monoisotopic mass700.434021 Da
  • ChemSpider ID9695225

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 5 defined stereocentres

More details:

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

(1S,2R)-4-{(1E,3E,5E,7E,9E,11E,13E,15E)-18-[2,3-Dimethyl-5-(2-oxopropyl)tetrahydro-2-furanyl]-3,7,12,16-tetramethyl-17-oxo-1,3,5,7,9,11,13,15-octadecaoctaen-1-yl}-3,5,5-trimethyl-3-cyclohexen-1,2-diyl -diacetat [German] [ACD/IUPAC Name]
(1S,2R)-4-{(1E,3E,5E,7E,9E,11E,13E,15E)-18-[2,3-Dimethyl-5-(2-oxopropyl)tetrahydro-2-furanyl]-3,7,12,16-tetramethyl-17-oxo-1,3,5,7,9,11,13,15-octadecaoctaen-1-yl}-3,5,5-trimethyl-3-cyclohexene-1,2-diy l diacetate [ACD/IUPAC Name]
3,5,7,9,11,13,15,17-Octadecaoctaen-2-one, 18-[(3R,4S)-3,4-bis(acetyloxy)-2,6,6-trimethyl-1-cyclohexen-1-yl]-3,7,12,16-tetramethyl-1-[tetrahydro-2,3-dimethyl-5-(2-oxopropyl)-2-furanyl]-, (3E,5E,7E,9E,1 1E,13E,15E,17E)- [ACD/Index Name]
Diacétate de (1S,2R)-4-{(1E,3E,5E,7E,9E,11E,13E,15E)-18-[2,3-diméthyl-5-(2-oxopropyl)tétrahydro-2-furanyl]-3,7,12,16-tétraméthyl-17-oxo-1,3,5,7,9,11,13,15-octadécaoctaén-1-yl}-3,5,5-triméthyl-3-cycloh exène-1,2-diyle [French] [ACD/IUPAC Name]

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

Density: 1.1±0.0 g/cm3
Boiling Point: 775.5±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 112.9±0.0 kJ/mol
Flash Point: 306.5±0.0 °C
Index of Refraction: 1.540
Molar Refractivity: 205.1±0.0 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 8.95
ACD/LogD (pH 5.5): 8.95
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1769998.75
ACD/LogD (pH 7.4): 8.95
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1769998.75
Polar Surface Area: 96 Å2
Polarizability: 81.3±0.0 10-24cm3
Surface Tension: 42.2±0.0 dyne/cm
Molar Volume: 653.7±0.0 cm3

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