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Didemnenone [(4S,5S)-4-Hydroxy-5-[1-(hydroxymethyl)-(E)-buta-1,3-dienyl]-4-(1-hydroxymethyl)cyclopent-2-enone]
SpectraBase Compound ID CtaAXSO1Z3J
InChI InChI=1S/C11H14O4/c1-2-3-8(6-12)10-9(14)4-5-11(10,15)7-13/h2-5,10,12-13,15H,1,6-7H2/b8-3-/t10-,11-/m1/s1
InChIKey HQFWOVAEQSTYLF-LTNPCIDKSA-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 8sY8UrH1i26
Name Didemnenone [(4S,5S)-4-Hydroxy-5-[1-(hydroxymethyl)-(E)-buta-1,3-dienyl]-4-(1-hydroxymethyl)cyclopent-2-enone]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14O4
InChI InChI=1S/C11H14O4/c1-2-3-8(6-12)10-9(14)4-5-11(10,15)7-13/h2-5,10,12-13,15H,1,6-7H2/b8-3-/t10-,11-/m1/s1
InChIKey HQFWOVAEQSTYLF-LTNPCIDKSA-N
Molecular Weight 210.229 g/mol
SMILES O[C@]1(CO)[C@@](C(C=C1)=O)(\C(=C/C=C)CO)[H]
SPLASH splash10-05i0-9800000000-36c246db15dddc498442
Source of Spectrum KC-0-3531-2
Synonyms (4S,5S)-4-hydroxy-4-(hydroxymethyl)-5-[(1Z)-1-(hydroxymethyl)-1,3-butadienyl]-2-cyclopenten-1-one (4S,5S)-4-hydroxy-4-(hydroxymethyl)-5-[(2E)-1-hydroxypenta-2,4-dien-2-yl]-1-cyclopent-2-enone (4S,5S)-4-hydroxy-4-(hydroxymethyl)-5-[(2E)-1-hydroxypenta-2,4-dien-2-yl]cyclopent-2-en-1-one (4S,5S)-4-hydroxy-4-(hydroxymethyl)-5-[(1E)-1-(hydroxymethyl)buta-1,3-dienyl]cyclopent-2-en-1-one (4S,5S)-4-(hydroxymethyl)-4-oxidanyl-5-[(2E)-1-oxidanylpenta-2,4-dien-2-yl]cyclopent-2-en-1-one
Wiley ID 782685