Found 4 results

Search term: ZQZINNIFSWTJMU (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1E,5S,7S,8S,9R,11S,13R,15E,17S)-1-Bromo-7,9,11,13,17-pentahydroxy-17-[(1R,9R,15S,17R)-9-hydroxy-5,13,17-trimethyl-11-methylene-3-oxo-2,16-dioxabicyclo[13.2.1]octadeca-4,6,12-trien-17-yl]-2-methoxy-8, 12,12,15-tetramethyl-3-methylene-1,15-heptadecadien-5-yl hexadecanoate | C59H97BrO12

(1E,5S,7S,8S,9R,11S,13R,15E,17S)-1-Bromo-7,9,11,13,17-pentahydroxy-17-[(1R,9R,15S,17R)-9-hydroxy-5,13,17-trimethyl-11-methylene-3-oxo-2,16-dioxabicyclo[13.2.1]octadeca-4,6,12-trien-17-yl]-2-methoxy-8, 12,12,15-tetramethyl-3-methylene-1,15-heptadecadien-5-yl hexadecanoate

  • Molecular FormulaC59H97BrO12
  • Average mass1078.298 Da
  • Monoisotopic mass1076.616333 Da
  • ChemSpider ID9204721

  • 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

(1E,5S,7S,8S,9R,11S,13R,15E,17S)-1-Brom-7,9,11,13,17-pentahydroxy-17-[(1R,9R,15S,17R)-9-hydroxy-5,13,17-trimethyl-11-methylen-3-oxo-2,16-dioxabicyclo[13.2.1]octadeca-4,6,12-trien-17-yl]-2-methoxy-8,12 ,12,15-tetramethyl-3-methylen-1,15-heptadecadien-5-yl-hexadecanoat [German] [ACD/IUPAC Name]
(1E,5S,7S,8S,9R,11S,13R,15E,17S)-1-Bromo-7,9,11,13,17-pentahydroxy-17-[(1R,9R,15S,17R)-9-hydroxy-5,13,17-trimethyl-11-methylene-3-oxo-2,16-dioxabicyclo[13.2.1]octadeca-4,6,12-trien-17-yl]-2-methoxy-8, 12,12,15-tetramethyl-3-methylene-1,15-heptadecadien-5-yl hexadecanoate [ACD/IUPAC Name]
Hexadécanoate de (1E,5S,7S,8S,9R,11S,13R,15E,17S)-1-bromo-7,9,11,13,17-pentahydroxy-17-[(1R,9R,15S,17R)-9-hydroxy-5,13,17-triméthyl-11-méthylène-3-oxo-2,16-dioxabicyclo[13.2.1]octadéca-4,6,12-trién-17 -yl]-2-méthoxy-8,12,12,15-tétraméthyl-3-méthylène-1,15-heptadécadién-5-yle [French] [ACD/IUPAC Name]
Hexadecanoic acid, (1S,3S,4S,5R,7S,9R,11E,13S)-1-[(3E)-4-bromo-3-methoxy-2-methylene-3-buten-1-yl]-3,5,7,9,13-pentahydroxy-13-[(1R,9R,15S,17R)-9-hydroxy-5,13,17-trimethyl-11-methylene-3-oxo-2,16-dioxa bicyclo[13.2.1]octadeca-4,6,12-trien-17-yl]-4,8,8,11-tetramethyl-11-tridecen-1-yl ester [ACD/Index 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: 1038.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 171.9±6.0 kJ/mol
Flash Point: 581.9±34.3 °C
Index of Refraction: 1.548
Molar Refractivity: 292.8±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 32
#Rule of 5 Violations: 4
ACD/LogP: 11.94
ACD/LogD (pH 5.5): 11.81
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.81
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 192 Å2
Polarizability: 116.1±0.5 10-24cm3
Surface Tension: 49.6±5.0 dyne/cm
Molar Volume: 922.3±5.0 cm3

Click to predict properties on the Chemicalize site


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