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GL2E4-6 (Geranyl dimeric lactone tetraepoxide isomer)
SpectraBase Compound ID CyNkSEo2nGY
InChI InChI=1S/C20H28O8/c1-17-7-5-11-19(3,27-11)16(22)24-10-14-18(2,26-14)8-6-12-20(4,28-12)15(21)23-9-13(17)25-17/h11-14H,5-10H2,1-4H3/t11-,12-,13-,14-,17-,18-,19+,20+/m0/s1
InChIKey UFFRLUZRNPCYMP-ZHGGVEMFSA-N
Mol Weight 396.44 g/mol
Molecular Formula C20H28O8
Exact Mass 396.178418 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6xmGwcvsXgT
Name GL2E4-6 (Geranyl dimeric lactone tetraepoxide isomer)
Comments Less than 3 mono-isotopic peaks
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Formula C20H28O8
InChI InChI=1S/C20H28O8/c1-17-7-5-11-19(3,27-11)16(22)24-10-14-18(2,26-14)8-6-12-20(4,28-12)15(21)23-9-13(17)25-17/h11-14H,5-10H2,1-4H3/t11-,12-,13-,14-,17-,18-,19+,20+/m0/s1
InChIKey UFFRLUZRNPCYMP-ZHGGVEMFSA-N
Molecular Weight 396.436 g/mol
SMILES [C@@]12(O[C@]2(CC[C@@]2(O[C@]2(COC(=O)[C@]2([C@@](O2)(CC[C@]2([C@@](O2)(COC1=O)[H])C)[H])C)[H])C)[H])C
SPLASH splash10-0a4i-0900000000-02be84ed11970a2db65e
Source of Spectrum E1-42-299-11
Wiley ID 1552440