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(9-S*,10-R*,11-R*,12-Z,15-Z)-9,10,11-TRIHYDROXYOCTADEC-12,15-DIENOIC_ACID
SpectraBase Compound ID 5ktEkOEw0su
InChI InChI=1S/C18H32O5/c1-2-3-4-6-9-12-15(19)18(23)16(20)13-10-7-5-8-11-14-17(21)22/h3-4,9,12,15-16,18-20,23H,2,5-8,10-11,13-14H2,1H3,(H,21,22)/b4-3-,12-9-/t15-,16+,18+/m1/s1
InChIKey KFINXCASWPGHEW-KBDXMMPDSA-N
Mol Weight 328.4 g/mol
Molecular Formula C18H32O5
Exact Mass 328.224974 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BGic0AfNd5K
Name (9-S*,10-R*,11-R*,12-Z,15-Z)-9,10,11-TRIHYDROXYOCTADEC-12,15-DIENOIC_ACID
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H32O5
InChI InChI=1S/C18H32O5/c1-2-3-4-6-9-12-15(19)18(23)16(20)13-10-7-5-8-11-14-17(21)22/h3-4,9,12,15-16,18-20,23H,2,5-8,10-11,13-14H2,1H3,(H,21,22)/b4-3-,12-9-/t15-,16+,18+/m1/s1
InChIKey KFINXCASWPGHEW-KBDXMMPDSA-N
Literature Reference Author A.BENAVIDES,A.NAPOLITANO,C.BASSARELLO,V.CARBONE,P.GAZZERRO,A .M.MALFITANO,P.SAGGE
Literature Reference Citation J.NAT.PROD.,72,813(2009)
Literature Reference DOI 10.1021/np8006205
Molecular Weight 328.449 g/mol
Sample ID 32512
Solvent CD3OD