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(Z)-(1S,5R,6S,7R,1'S)-7-Benzoyloxy-6-(1'-hydroxyoct-2'-enyl)-2-oxabicyclo[3.3.0]octan-3-one

View entire compound with spectra: 1 MS (GC)

(Z)-(1S,5R,6S,7R,1'S)-7-Benzoyloxy-6-(1'-hydroxyoct-2'-enyl)-2-oxabicyclo[3.3.0]octan-3-one
SpectraBase Compound ID 8m74FGDa6VU
InChI InChI=1S/C22H28O5/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/h6-12,16-19,21,23H,2-5,13-14H2,1H3/b12-9-/t16-,17-,18-,19+,21-/m0/s1
InChIKey PSQZQTKRWQRECH-GRYMMODMSA-N
Mol Weight 372.46 g/mol
Molecular Formula C22H28O5
Exact Mass 372.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DggBcMdFlvA
Name (Z)-(1S,5R,6S,7R,1'S)-7-Benzoyloxy-6-(1'-hydroxyoct-2'-enyl)-2-oxabicyclo[3.3.0]octan-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28O5
InChI InChI=1S/C22H28O5/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/h6-12,16-19,21,23H,2-5,13-14H2,1H3/b12-9-/t16-,17-,18-,19+,21-/m0/s1
InChIKey PSQZQTKRWQRECH-GRYMMODMSA-N
Molecular Weight 372.461 g/mol
SMILES O[C@]([C@@]1([C@@]2([C@@](OC(C2)=O)(C[C@]1(OC(=O)c1ccccc1)[H])[H])[H])[H])(\C=C/CCCCC)[H]
SPLASH splash10-0pe9-0594000000-a2c5ad1bcc3a86ce8a9e
Source of Spectrum KC-0-2697-44
Synonyms (3aR,4S,5R,6aS)-4-[(1S,2Z)-1-hydroxy-2-octenyl]-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl benzoate (Z)-(1S,5R,6R,7R,1'R/S)-7-Benzyloxy-6-(1'-hydroxyoct-2'-enyl)-2-oxabicyclo[3.3.0]octan-3-one
Wiley ID 826247