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(1S,5R,6R,7R,1'S/R)-7-Benzoyloxy-6-(1'-hydroxyoct-2'-ynyl)-2-oxabicyclo[3.3.0]octan-3-one
SpectraBase Compound ID 9igRHwWKCQ0
InChI InChI=1S/C22H26O5/c1-2-3-4-5-9-12-17(23)21-16-13-20(24)26-18(16)14-19(21)27-22(25)15-10-7-6-8-11-15/h6-8,10-11,16-19,21,23H,2-5,13-14H2,1H3/t16-,17+,18-,19+,21-/m0/s1
InChIKey JXYXGSWDQFGSMS-XQPJFTJZSA-N
Mol Weight 370.45 g/mol
Molecular Formula C22H26O5
Exact Mass 370.178024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3bO5riyRoWi
Name (1S,5R,6R,7R,1'S/R)-7-Benzoyloxy-6-(1'-hydroxyoct-2'-ynyl)-2-oxabicyclo[3.3.0]octan-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26O5
InChI InChI=1S/C22H26O5/c1-2-3-4-5-9-12-17(23)21-16-13-20(24)26-18(16)14-19(21)27-22(25)15-10-7-6-8-11-15/h6-8,10-11,16-19,21,23H,2-5,13-14H2,1H3/t16-,17+,18-,19+,21-/m0/s1
InChIKey JXYXGSWDQFGSMS-XQPJFTJZSA-N
Molecular Weight 370.445 g/mol
SMILES O[C@](C#CCCCCC)([C@@]1([C@@]2([C@@](OC(C2)=O)(C[C@]1(OC(=O)c1ccccc1)[H])[H])[H])[H])[H]
SPLASH splash10-0a4j-0890000000-1faaec077ed18a6adbbc
Source of Spectrum KC-0-2697-41
Synonyms (1S,5R,6R,7R,1'S/R)-7-Benzyloxy-6-(1'-hydroxyoct-2'-ynyl)-2-oxabicyclo[3.3.0]octan-3-one (3aR,4S,5R,6aS)-4-[(1S)-1-hydroxy-2-octynyl]-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl benzoate
Wiley ID 826248