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(1S,5S)-Ethyl 5-{7-.alpha.-hydroxy-6.beta.-[3.alpha.-hydroxy-(E)-1-octenyl]-3-oxo-2-oxabicyclo[3.3.0]octane-4-ylidenemethoxy}valerate
SpectraBase Compound ID GoW6RnXITGz
InChI InChI=1S/C23H36O7/c1-3-5-6-9-16(24)11-12-17-19(25)14-20-22(17)18(23(27)30-20)15-28-13-8-7-10-21(26)29-4-2/h11-12,15-17,19-20,22,24-25H,3-10,13-14H2,1-2H3/b12-11+,18-15-/t16?,17-,19+,20-,22-/m0/s1
InChIKey AJFJSBGGOHCKNS-VFUSMXITSA-N
Mol Weight 424.5 g/mol
Molecular Formula C23H36O7
Exact Mass 424.246103 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2J7kczxAyyW
Name (1S,5S)-Ethyl 5-{7-.alpha.-hydroxy-6.beta.-[3.alpha.-hydroxy-(E)-1-octenyl]-3-oxo-2-oxabicyclo[3.3.0]octane-4-ylidenemethoxy}valerate
Alternate Name(s) Ethyl 5-{7-.alpha.-hydroxy-6.beta.-[3.alpha.-hydroxy-(E)-1-octenyl]-3-oxo-2-oxabicyclo[3.3.0]octane-4-ylidenemethoxy}valerate Ethyl 5-{[(Z)-((3aS,4R,5R,6aS)-5-hydroxy-4-[(1E)-3-hydroxy-1-octenyl]-2-oxotetrahydro-2H-cyclopenta[b]furan-3(3aH)-ylidene)methyl]oxy}pentanoate
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Formula C23H36O7
InChI InChI=1S/C23H36O7/c1-3-5-6-9-16(24)11-12-17-19(25)14-20-22(17)18(23(27)30-20)15-28-13-8-7-10-21(26)29-4-2/h11-12,15-17,19-20,22,24-25H,3-10,13-14H2,1-2H3/b12-11+,18-15-/t16?,17-,19+,20-,22-/m0/s1
InChIKey AJFJSBGGOHCKNS-VFUSMXITSA-N
Molecular Weight 424.534 g/mol
SMILES OC(\C=C\[C@]1([C@@](C[C@@]2(OC(\C([C@]12[H])=C\OCCCCC(=O)OCC)=O)[H])(O)[H])[H])CCCCC
SPLASH splash10-0udi-0095000000-ec6a6b720c854e3208ad
Source of Spectrum O1-33-1272-8
Wiley ID 819261