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(1'Z,4'Z,7'Z,1-'Z)-(1S,2S,4R,5S,6R)-2-Methoxy-6-(methoxymethyl)oxy-4-trideca-1',4',7',10'-tetraenyl-3-oxabicyclo[3.3.0]octane

View entire compound with spectra: 1 MS (GC)

(1'Z,4'Z,7'Z,1-'Z)-(1S,2S,4R,5S,6R)-2-Methoxy-6-(methoxymethyl)oxy-4-trideca-1',4',7',10'-tetraenyl-3-oxabicyclo[3.3.0]octane
SpectraBase Compound ID LaJ5kRWA4TB
InChI InChI=1S/C23H36O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-21-22-19(23(25-3)27-21)16-17-20(22)26-18-24-2/h5-6,8-9,11-12,14-15,19-23H,4,7,10,13,16-18H2,1-3H3/b6-5-,9-8-,12-11-,15-14-/t19-,20+,21+,22-,23-/m0/s1
InChIKey PWNZTAYEJPKRRY-FSAYBHMYSA-N
Mol Weight 376.5 g/mol
Molecular Formula C23H36O4
Exact Mass 376.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FBSfxHoLJrf
Name (1'Z,4'Z,7'Z,1-'Z)-(1S,2S,4R,5S,6R)-2-Methoxy-6-(methoxymethyl)oxy-4-trideca-1',4',7',10'-tetraenyl-3-oxabicyclo[3.3.0]octane
Alternate Name(s) (1S,3R,3aS,4R,6aS)-1-methoxy-4-(methoxymethoxy)-3-[(1Z,4Z,7Z,10E)-1,4,7,10-tridecatetraenyl]hexahydro-1H-cyclopenta[c]furan
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H36O4
InChI InChI=1S/C23H36O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-21-22-19(23(25-3)27-21)16-17-20(22)26-18-24-2/h5-6,8-9,11-12,14-15,19-23H,4,7,10,13,16-18H2,1-3H3/b6-5-,9-8-,12-11-,15-14-/t19-,20+,21+,22-,23-/m0/s1
InChIKey PWNZTAYEJPKRRY-FSAYBHMYSA-N
Molecular Weight 376.537 g/mol
SMILES [C@]1(O[C@@]([C@]2(CC[C@]([C@@]12[H])(OCOC)[H])[H])(OC)[H])(\C=C/C\C=C/C\C=C/C\C=C/CC)[H]
SPLASH splash10-0002-9000000000-3eedee9f5cae1e05a98f
Source of Spectrum F-56-8092-22
Wiley ID 858919