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

View entire compound with spectra: 1 MS (GC)

(Z)-(1S,5R,6R,7R,1'S)-7-Benzoyloxy-6-(1'-benzoyloxyoct-2'-enyl)-2-oxabicyclo[3.3.0]octan-3-one
SpectraBase Compound ID DddPZdALoNM
InChI InChI=1S/C29H32O6/c1-2-3-4-5-12-17-23(34-28(31)20-13-8-6-9-14-20)27-22-18-26(30)33-24(22)19-25(27)35-29(32)21-15-10-7-11-16-21/h6-17,22-25,27H,2-5,18-19H2,1H3/b17-12-/t22-,23-,24-,25+,27-/m0/s1
InChIKey TXXFEKWXJGTBHU-HKZOWXCSSA-N
Mol Weight 476.6 g/mol
Molecular Formula C29H32O6
Exact Mass 476.219889 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DcGlpeqgmNh
Name (Z)-(1S,5R,6R,7R,1'S)-7-Benzoyloxy-6-(1'-benzoyloxyoct-2'-enyl)-2-oxabicyclo[3.3.0]octan-3-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H32O6
InChI InChI=1S/C29H32O6/c1-2-3-4-5-12-17-23(34-28(31)20-13-8-6-9-14-20)27-22-18-26(30)33-24(22)19-25(27)35-29(32)21-15-10-7-11-16-21/h6-17,22-25,27H,2-5,18-19H2,1H3/b17-12-/t22-,23-,24-,25+,27-/m0/s1
InChIKey TXXFEKWXJGTBHU-HKZOWXCSSA-N
Molecular Weight 476.569 g/mol
SMILES [C@]12([C@]([C@](OC(=O)c3ccccc3)(C[C@@]1(OC(C2)=O)[H])[H])([C@@](OC(=O)c1ccccc1)(\C=C/CCCCC)[H])[H])[H]
SPLASH splash10-0a4i-0900000000-55e2df81c2e2807b2d60
Source of Spectrum KC-0-2698-52
Synonyms (1S,2Z)-1-[(3aR,4R,5R,6aS)-5-(benzoyloxy)-2-oxohexahydro-2H-cyclopenta[b]furan-4-yl]-2-octenyl benzoate (Z)-(1S,5R,6R,7R,1'S)-7-Benzyloxy-6-(1'-benzyloxyoct-2'-enyl)-2-oxabicyclo[3.3.0]octan-3-one
Wiley ID 826244