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(2S,3E,3aS,6aS)-2-hydroxy-6a-(hydroxymethyl)-3-prop-2-enylidene-3aH-cyclopenta[b]furan-4-one
SpectraBase Compound ID 2nFbnRSB7rc
InChI InChI=1S/C11H12O4/c1-2-3-7-9-8(13)4-5-11(9,6-12)15-10(7)14/h2-5,9-10,12,14H,1,6H2/b7-3+/t9-,10+,11-/m1/s1
InChIKey NVVCRWXQDUOVSO-MWPQJCRDSA-N
Mol Weight 208.21 g/mol
Molecular Formula C11H12O4
Exact Mass 208.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7dLncTTqCgy
Name (2S,3E,3aS,6aS)-2-hydroxy-6a-(hydroxymethyl)-3-prop-2-enylidene-3aH-cyclopenta[b]furan-4-one
CAS Registry Number 110935-52-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12O4
InChI InChI=1S/C11H12O4/c1-2-3-7-9-8(13)4-5-11(9,6-12)15-10(7)14/h2-5,9-10,12,14H,1,6H2/b7-3+/t9-,10+,11-/m1/s1
InChIKey NVVCRWXQDUOVSO-MWPQJCRDSA-N
Molecular Weight 208.213 g/mol
SMILES O[C@@]1(\C([C@]2([C@@](CO)(O1)C=CC2=O)[H])=C/C=C)[H]
SPLASH splash10-004i-9700000000-dcfceb52a05efdcf3962
Source of Spectrum C-112-3505-1
Synonyms (2S,3E,3aS,6aS)-3-allylidene-2-hydroxy-6a-(hydroxymethyl)-3aH-cyclopenta[b]furan-4-one (2S,3E,3aS,6aS)-3-allylidene-2-hydroxy-6a-methylol-3aH-cyclopenta[b]furan-4-one (2S,3E,3aS,6aS)-6a-(hydroxymethyl)-2-oxidanyl-3-prop-2-enylidene-3aH-cyclopenta[b]furan-4-one
Wiley ID 1206577