LBF20307TX02

Upper classes

IDs and Links
LipidBank	XPR2101
LipidMaps	LMFA03030002
CAS
KEGG	{{{KEGG}}}
KNApSAcK	{{{KNApSAcK}}}
CDX file
MOL file	LBF20307TX02.mol

THROMBOXANE B2
Structural Information
Systematic Name	7- [ Tetrahydro-4 (S) ,6-dihydroxy-2 (R) - (3 (S) -hydroxy-1 (E) -octenyl) -2H-pyran-3 (S) -yl ] -5 (Z) -heptenoic acid
Common Name	THROMBOXANE B2
Symbol
Formula	C20H34O6
Exact Mass	370.23553882
Average Mass	370.48036
SMILES	C(CC[C@H](O)C=C[C@@H](O1)[C@@H]([C@@H](CC1O)O)CC=CCCCC(O)=O)CC
Physicochemical Information
Melting Point	95-96°C <<1033>>
Boiling Point
Density
Optical Rotation
Reflactive Index	[a]XD25=57.4°(C=0.26 ETHYL ACETATE) <<1033>>
Solubility	ETHYL ACETATE <<1035>>
Spectral Information
Mass Spectra	m/e 335, 317 <<1033>>
UV Spectra
IR Spectra	FILM: n 3380, 1705cm-1 <<1033>>
NMR Spectra	1H-NMR(CDCl3) : d 5.86(m, 1H, 14-CH), 5.72(m, 1H, 13-CH), 5.46(m, 2H, 5,6-CH), 5.35 and 5.23(m, 1H, 11-CH), 4.41(m, 1H, 12-CH), 4.22(m, 1H, 15-CH), 4.11(m, 1H, 9-CH), 2.35(t, 2H, 2-CH2), 0.89(m, 3H, 20-CH3) <<1034>>
Chromatograms