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(Q105130384)
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English
(Z)-7-[(1R,2S)-2-[(Z,3R)-3-acetyloxyoct-1-enyl]-5-oxocyclopent-3-en-1-yl]hept-5-enoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
7-[2-(3-Acetyloxyoct-1-enyl)-5-oxocyclopent-3-en-1-yl]hept-5-enoic acid
1 reference
based on heuristic
inferred from SMILES
mass
376.224974124
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₃₂O₅
0 references
canonical SMILES
O=C(O)CCCC=CCC1C(=O)C=CC1C=CC(OC(=O)C)CCCCC
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isomeric SMILES
CCCCC[C@H](/C=C\[C@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)O)OC(C)=O
0 references
found in taxon
Plexaura homomalla
1 reference
stated in
The occurrence of 13,14-dihydro and 13,14-cis-unsaturated prostaglandins in the coral, Plexaura homomalla. Synthesis of 13,14-cis-prostaglandin E2, 15-acetate methyl ester, and the 13,14-cis analogues of prostaglandin F2alpha and prostaglandin F2bet
Identifiers
InChI
InChI=1S/C22H32O5/c1-3-4-7-10-19(27-17(2)23)15-13-18-14-16-21(24)20(18)11-8-5-6-9-12-22(25)26/h5,8,13-16,18-20H,3-4,6-7,9-12H2,1-2H3,(H,25,26)/b8-5-,15-13-/t18-,19+,20+/m0/s1
0 references
InChIKey
JKOMICWLAGHZOC-TUAKKSKPSA-N
0 references
PubChem CID
162920019
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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