LBF20307TX03

From Metabolomics.JP
Jump to: navigation, search



Upper classes



11-DEHYDROTHROMBOXANE B2
LBF20307TX03.png
Structural Information
Systematic Name 7- [ Tetrahydro-4 (S) -hydroxy-2 (R) - (3 (S) -hydroxy-1 (E) -octenyl) -6-oxo-2H-pyran-3 (S) -yl ] -5 (Z) -heptenoic acid
Common Name
  • 11-DEHYDROTHROMBOXANE B2
Symbol
Formula C20H32O6
Exact Mass 368.219888756
Average Mass 368.46448
SMILES C(CC[C@@H](O)C=C[C@@H](O1)[C@H]([C@H](CC1=O)O)CC=CCCCC(O)=O)CC
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Reflactive Index
Solubility METHANOL, ETHYL ACETATE <<1058>>
Spectral Information
Mass Spectra METHYL ESTER BIS-TMS ETHER ; m/e 526(M+), 511, 455, 370, 295 <<1057>>
UV Spectra
IR Spectra METHYL ESTER ; CHLOROFORM solution, n 1730 cm-1 <<1057>>
NMR Spectra METHYL ESTER ; 1H-NMR(CDCl3) : d 5.86-5.78(m, 2H), 5.56-5.32(m, 2H), 5.13-4.72(m, 1H), 5.23-4.05(m, 2H), 3.67(S, 3H, OCH3)<<1057>>
Chromatograms




Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox