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Thromboxane A2, carbocyclic
SpectraBase Compound ID LaQ8xvxSp0k
InChI InChI=1S/C22H36O3/c1-2-3-6-9-20(23)13-12-18-14-17-15-19(16-17)21(18)10-7-4-5-8-11-22(24)25/h4,7,12-13,17-21,23H,2-3,5-6,8-11,14-16H2,1H3,(H,24,25)/b7-4-,13-12+/t17?,18-,19?,20-,21+/m1/s1
InChIKey ZIWNJZLXPXFNGN-WZVVFKISSA-N
Mol Weight 348.5 g/mol
Molecular Formula C22H36O3
Exact Mass 348.266445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1YNyhW5XPiP
Name Thromboxane A2, carbocyclic
Alternate Name(s) 5-Heptenoic acid, 7-[3-(3-hydroxy-1-octenyl)bicyclo[3.1.1]hept-2-yl]-, [2.alpha.(Z),3.beta.(1E,3R*)]-(.+-.)- 2.beta.-(Z),3.alpha.-(1E,3R)-(3-(3-hydroxy-(1-octenyl)bicyclo(3.1.1)hept-2-yl)-5-heptenoic acid 5-Heptenoic acid, 7-(3-(3-hydroxy-1-octenyl)bicyclo(3.1.1)hept-2-yl)-, (2alpha(Z),3beta(1E,3R*))-(+-)- Carbocyclic thromboxane A2
CAS Registry Number 73543-47-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H36O3
InChI InChI=1S/C22H36O3/c1-2-3-6-9-20(23)13-12-18-14-17-15-19(16-17)21(18)10-7-4-5-8-11-22(24)25/h4,7,12-13,17-21,23H,2-3,5-6,8-11,14-16H2,1H3,(H,24,25)/b7-4-,13-12+/t17?,18-,19?,20-,21+/m1/s1
InChIKey ZIWNJZLXPXFNGN-WZVVFKISSA-N
Molecular Weight 348.527 g/mol
SMILES O[C@@](\C=C\[C@]1([C@](C\C=C/CCCC(=O)O)(C2CC(C1)C2)[H])[H])(CCCCC)[H]
SPLASH splash10-014i-5910000000-3853a012981d1db736e7
Source of Spectrum C-102-1408-0
Wiley ID 1340995