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Methyl 2'.alpha.,3'.alpha.-Dihydro-2'.alpha.,3'.alpha.-epoxyabscisate
SpectraBase Compound ID HYaNAhr9KxS
InChI InChI=1S/C16H22O5/c1-10(8-12(18)20-5)6-7-16(19)14(2,3)9-11(17)13-15(16,4)21-13/h6-8,13,19H,9H2,1-5H3/b7-6+,10-8-/t13-,15-,16+/m1/s1
InChIKey HHWNMLFJYPWWAB-OVZUXEIPSA-N
Mol Weight 294.35 g/mol
Molecular Formula C16H22O5
Exact Mass 294.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2lc8VCwsyBh
Name Methyl 2'.alpha.,3'.alpha.-Dihydro-2'.alpha.,3'.alpha.-epoxyabscisate
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Formula C16H22O5
InChI InChI=1S/C16H22O5/c1-10(8-12(18)20-5)6-7-16(19)14(2,3)9-11(17)13-15(16,4)21-13/h6-8,13,19H,9H2,1-5H3/b7-6+,10-8-/t13-,15-,16+/m1/s1
InChIKey HHWNMLFJYPWWAB-OVZUXEIPSA-N
Molecular Weight 294.347 g/mol
SMILES O[C@@]1([C@]2([C@@](C(=O)CC1(C)C)(O2)[H])C)\C=C\C(=C/C(=O)OC)C
SPLASH splash10-004i-0920000000-315730e0511b00850f55
Source of Spectrum F-51-6921-6
Synonyms Methyl (2Z,4E)-5-[(1R,2S,6S)-2-hydroxy-1,3,3-trimethyl-5-oxo-7-oxabicyclo[4.1.0]hept-2-yl]-3-methyl-2,4-pentadienoate
Wiley ID 792155