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,17R)-9-hydroxy-5,13,17-tris[(~13~C)methyl]-11-(~13~C)methylene-3-oxo(~13~C_16_)-2,16-dioxabicyclo[13.2.1]octadeca-4,6,12-t rien-17-yl]-2-methoxy-15-methyl-8,12,12-tris[(~13~C)methyl]-3-(~13~C)methylene(~13~C_17_)-1,15-heptadecadien-5-yl hexadecanoate | C1813C41H97BrO12

(1E,5S,7S,8S,9R,11S,13R,15E,17S)-1-Bromo-7,9,11,13,17-pentahydroxy-17-[(1R,9R,17R)-9-hydroxy-5,13,17-tris[(13C)methyl]-11-(13C)methylene-3-oxo(13C16)-2,16-dioxabicyclo[13.2.1]octadeca-4,6,12-t rien-17-yl]-2-methoxy-15-methyl-8,12,12-tris[(13C)methyl]-3-(13C)methylene(13C17)-1,15-heptadecadien-5-yl hexadecanoate

  • Molecular FormulaC1813C41H97BrO12
  • Average mass1118.997 Da
  • Monoisotopic mass1117.753906 Da
  • ChemSpider ID9226614

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 11 defined stereocentres

    Non-standard isotope - Non-standard isotope

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,17R)-9-hydroxy-5,13,17-tris[(13C)methyl]-11-(13C)methylen-3-oxo(13C16)-2,16-dioxabicyclo[13.2.1]octadeca-4,6,12-tri en-17-yl]-2-methoxy-15-methyl-8,12,12-tris[(13C)methyl]-3-(13C)methylen(13C17)-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,17R)-9-hydroxy-5,13,17-tris[(13C)methyl]-11-(13C)methylene-3-oxo(13C16)-2,16-dioxabicyclo[13.2.1]octadeca-4,6,12-t rien-17-yl]-2-methoxy-15-methyl-8,12,12-tris[(13C)methyl]-3-(13C)methylene(13C17)-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,17R)-9-hydroxy-5,13,17-tris[(13C)méthyl]-11-(13C)méthylène-3-oxo(13C16)-2,16-dioxabicyclo[13.2.1] octadéca-4,6,12-trién-17-yl]-2-méthoxy-15-méthyl-8,12,12-tris[(13C)méthyl]-3-(13C)méthylène(13C17)-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-13C)-3-buten-1-yl-1,2,3,4-13C4]-3,5,7,9,13-pentahydroxy-13-[(1R,9R,17R)-9-hydroxy-5,13,17-tri(methyl-13C)- 11-(methylene-13C)-3-oxo-2,16-dioxabicyclo[13.2.1]octadeca-4,6,12-trien-17-yl-1,3,4,5,6,7,8,9,10,11,12,13,14,15,17,18-13C16]-11-methyl-4,8,8-tri(methyl-13C)-11-tridecen-1-yl-1,2,3,4,5,6,7,8,9, 10,11,12,13-13C13 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.548
Molar Refractivity: 292.8±0.4 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
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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