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(1S,5R,6S)-5-hydroxy-3-((E)-3-methoxy-3-methylbut-1-en-1-yl)-7-oxabicyclo[4.1.0]hept-3-en-2-one
SpectraBase Compound ID FD9IxgQvhdA
InChI InChI=1S/C12H16O4/c1-12(2,15-3)5-4-7-6-8(13)10-11(16-10)9(7)14/h4-6,8,10-11,13H,1-3H3/b5-4+/t8-,10+,11-/m1/s1
InChIKey KZVFQSBTQUJJFF-MZGDZVRXSA-N
Mol Weight 224.26 g/mol
Molecular Formula C12H16O4
Exact Mass 224.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3K9bcU2dYUr
Name (1S,5R,6S)-5-hydroxy-3-((E)-3-methoxy-3-methylbut-1-en-1-yl)-7-oxabicyclo[4.1.0]hept-3-en-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O4
InChI InChI=1S/C12H16O4/c1-12(2,15-3)5-4-7-6-8(13)10-11(16-10)9(7)14/h4-6,8,10-11,13H,1-3H3/b5-4+/t8-,10+,11-/m1/s1
InChIKey KZVFQSBTQUJJFF-MZGDZVRXSA-N
Literature Reference DOI 10.1021/ol9016657
Molecular Weight 224.256 g/mol
SMILES O[C@@]1(C=C(C([C@@]2([C@]1(O2)[H])[H])=O)\C=C\C(C)(OC)C)[H]
SPLASH splash10-0020-9210000000-93886b875196bdf0e99a
Source of Spectrum A1-11-4290/SMS18-7
Synonyms (1S,2R,6S)-2-hydroxy-4-[(E)-3-methoxy-3-methylbut-1-enyl]-7-oxabicyclo[4.1.0]hept-3-en-5-one (1S,2R,6S)-4-[(E)-3-methoxy-3-methyl-but-1-enyl]-2-oxidanyl-7-oxabicyclo[4.1.0]hept-3-en-5-one
Wiley ID 1757411