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(1S,5R,6S)-5-hydroxy-3-((E)-3-hydroxy-3-methylbut-1-en-1-yl)-7-oxabicyclo[4.1.0]hept-3-en-2-one
SpectraBase Compound ID EsjUBxR6Ays
InChI InChI=1S/C11H14O4/c1-11(2,14)4-3-6-5-7(12)9-10(15-9)8(6)13/h3-5,7,9-10,12,14H,1-2H3/b4-3+/t7-,9+,10-/m1/s1
InChIKey GBMBXOXGPSTVDC-YFTHNKSASA-N
Mol Weight 210.23 g/mol
Molecular Formula C11H14O4
Exact Mass 210.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HFDWZW3l2cq
Name (1S,5R,6S)-5-hydroxy-3-((E)-3-hydroxy-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 C11H14O4
InChI InChI=1S/C11H14O4/c1-11(2,14)4-3-6-5-7(12)9-10(15-9)8(6)13/h3-5,7,9-10,12,14H,1-2H3/b4-3+/t7-,9+,10-/m1/s1
InChIKey GBMBXOXGPSTVDC-YFTHNKSASA-N
Literature Reference DOI 10.1021/ol9016657
Molecular Weight 210.229 g/mol
SMILES O[C@@]1(C=C(\C=C\C(C)(C)O)C([C@@]2([C@]1(O2)[H])[H])=O)[H]
SPLASH splash10-0006-9600000000-5455b10b5adcbf431194
Source of Spectrum A1-11-4290/SMS15-5
Synonyms (1S,2R,6S)-2-hydroxy-4-[(E)-3-hydroxy-3-methylbut-1-enyl]-7-oxabicyclo[4.1.0]hept-3-en-5-one (1S,2R,6S)-4-[(E)-3-methyl-3-oxidanyl-but-1-enyl]-2-oxidanyl-7-oxabicyclo[4.1.0]hept-3-en-5-one
Wiley ID 1757410