LBF20207TX03: Difference between revisions
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|SysName=7- [ Tetrahydro-4 (S) -hydroxy-2 (R) - (3 (S) -hydroxy-1 (E) -octenyl) -6-oxo-2H-pyran-3 (S) -yl ] -5 (Z) -heptenoic acid | |SysName=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&& | |Common Name=&&11-DEHYDROTHROMBOXANE B2&& | ||
|Solubility=METHANOL, ETHYL ACETATE | |Solubility=METHANOL, ETHYL ACETATE [[Reference:Roberts_LJ:2nd:Sweetman_BJ:Oates_JA:,J. Biol. Chem.,1978,253,5305|{{RelationTable/GetFirstAuthor|Reference:Roberts_LJ:2nd:Sweetman_BJ:Oates_JA:,J. Biol. Chem.,1978,253,5305}}]] | ||
|Mass Spectra=METHYL ESTER BIS-TMS ETHER ; m/e 526(M<SUP><FONT SIZE=-1>+</FONT></SUP>), 511, 455, 370, 295 | |Mass Spectra=METHYL ESTER BIS-TMS ETHER ; m/e 526(M<SUP><FONT SIZE=-1>+</FONT></SUP>), 511, 455, 370, 295 [[Reference:Nelson_NA:Jackson_RW:Sebek_OK:,Prostaglandins,1978,16,85|{{RelationTable/GetFirstAuthor|Reference:Nelson_NA:Jackson_RW:Sebek_OK:,Prostaglandins,1978,16,85}}]] | ||
|IR Spectra=METHYL ESTER ; CHLOROFORM solution, <FONT FACE="Symbol">n</FONT> 1730 cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP> | |IR Spectra=METHYL ESTER ; CHLOROFORM solution, <FONT FACE="Symbol">n</FONT> 1730 cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP> [[Reference:Nelson_NA:Jackson_RW:Sebek_OK:,Prostaglandins,1978,16,85|{{RelationTable/GetFirstAuthor|Reference:Nelson_NA:Jackson_RW:Sebek_OK:,Prostaglandins,1978,16,85}}]] | ||
|NMR Spectra=METHYL ESTER ; <SUP><FONT SIZE=-1>1</FONT></SUP>H-NMR(CDCl<SUB><FONT SIZE=-1>3</FONT></SUB>) : <FONT FACE="Symbol">d</FONT> 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, OCH<SUB><FONT SIZE=-1>3</FONT></SUB>) | |NMR Spectra=METHYL ESTER ; <SUP><FONT SIZE=-1>1</FONT></SUP>H-NMR(CDCl<SUB><FONT SIZE=-1>3</FONT></SUB>) : <FONT FACE="Symbol">d</FONT> 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, OCH<SUB><FONT SIZE=-1>3</FONT></SUB>)[[Reference:Nelson_NA:Jackson_RW:Sebek_OK:,Prostaglandins,1978,16,85|{{RelationTable/GetFirstAuthor|Reference:Nelson_NA:Jackson_RW:Sebek_OK:,Prostaglandins,1978,16,85}}]] | ||
}} | }} |
Revision as of 00:00, 12 December 2008
IDs and Links | |
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LipidBank | XPR2121 |
LipidMaps | LMFA03030004 |
CAS | |
KEGG | {{{KEGG}}} |
KNApSAcK | {{{KNApSAcK}}} |
mol | LBF20207TX03 |
11-DEHYDROTHROMBOXANE B2 | |
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Structural Information | |
7- [ Tetrahydro-4 (S) -hydroxy-2 (R) - (3 (S) -hydroxy-1 (E) -octenyl) -6-oxo-2H-pyran-3 (S) -yl ] -5 (Z) -heptenoic acid | |
| |
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 | |
METHANOL, ETHYL ACETATE Roberts_LJ et al. | |
Spectral Information | |
Mass Spectra | METHYL ESTER BIS-TMS ETHER ; m/e 526(M+), 511, 455, 370, 295 Nelson_NA et al. |
UV Spectra | |
IR Spectra | METHYL ESTER ; CHLOROFORM solution, n 1730 cm-1 Nelson_NA et al. |
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) Nelson_NA et al. |
Other Spectra | |
Chromatograms |
Reported Metabolites, References | ||||||||||||||||||||||||||||||
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