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PINOLIDOXIN
SpectraBase Compound ID BDMLCndABCy
InChI InChI=1S/C18H26O6/c1-3-5-6-12-16(20)23-15-11-8-7-10-13(19)17(21)14(9-4-2)24-18(15)22/h3,5-7,10,12-15,17,19,21H,4,8-9,11H2,1-2H3/b5-3+,10-7+,12-6+
InChIKey TXPRZPDVUZCNLB-YECGNMMBSA-N
Mol Weight 338.4 g/mol
Molecular Formula C18H26O6
Exact Mass 338.172939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E8ONRLJYQaz
Name 7-epi-pinolidoxin
Alternate Name(s) (2E,4E)-hexa-2,4-dienoic acid [(5E)-3,4-dihydroxy-10-oxo-2-propyl-2,3,4,7,8,9-hexahydrooxecin-9-yl] ester [(5E)-3,4-dihydroxy-10-oxo-2-propyl-2,3,4,7,8,9-hexahydrooxecin-9-yl] (2E,4E)-hexa-2,4-dienoate [(5E)-3,4-bis(oxidanyl)-10-oxidanylidene-2-propyl-2,3,4,7,8,9-hexahydrooxecin-9-yl] (2E,4E)-hexa-2,4-dienoate
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Formula C18H26O6
InChI InChI=1S/C18H26O6/c1-3-5-6-12-16(20)23-15-11-8-7-10-13(19)17(21)14(9-4-2)24-18(15)22/h3,5-7,10,12-15,17,19,21H,4,8-9,11H2,1-2H3/b5-3+,10-7+,12-6+
InChIKey TXPRZPDVUZCNLB-YECGNMMBSA-N
Molecular Weight 338.400 g/mol
SMILES OC1C(\C=C\CCC(C(OC1CCC)=O)OC(\C=C\C=C\C)=O)O
SPLASH splash10-0002-9000000000-c8818386c6739e6782a9
Source of Spectrum X2-56-1942-2
Wiley ID 1605185