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Carbocyclic thromboxane A2
SpectraBase Compound ID 1KzBQ3J7wHg
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+/m0/s1
InChIKey ZIWNJZLXPXFNGN-WAKKSPIMSA-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 KHe7QcpaGdj
Name Carbocyclic thromboxane A2
CAS Registry Number 74034-56-3
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+/m0/s1
InChIKey ZIWNJZLXPXFNGN-WAKKSPIMSA-N
Molecular Weight 348.527 g/mol
SMILES OC(\C=C\[C@@]1([C@@](C\C=C/CCCC(=O)O)(C2CC(C1)C2)[H])[H])CCCCC
SPLASH splash10-066r-4910000000-826c72adb0bd6794cc62
Source of Spectrum C-102-1408-0
Synonyms 2.alpha.-(6-carboxyhex-(2Z)-enyl)-3.beta.-(3.alpha.-hydroxyoct-(1E)-enyl)bicyclo[3.1.1]heptane 5-Heptenoic acid, 7-[3-(3-hydroxy-1-octenyl)bicyclo[3.1.1]hept-2-yl]-, [2S-[2.alpha.(Z),3.beta.(1E,3R*)]]- Carbocyclic txa2 CTA(2)
Wiley ID 1340994