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(Z)-(1S,5R,6R,7R,1'R)-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'R)-7-Benzoyloxy-6-(1'-benzoyloxyoct-2'-enyl)-2-oxabicyclo[3.3.0]octan-3-one
SpectraBase Compound ID 177ob0hAqbZ
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-YHTCVWLTSA-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 Ay1bAFtQwZN
Name (Z)-(1S,5R,6R,7R,1'R)-7-Benzoyloxy-6-(1'-benzoyloxyoct-2'-enyl)-2-oxabicyclo[3.3.0]octan-3-one
Alternate Name(s) (3aR,4R,5R,6aS)-4-[(1R,2Z)-1-(benzoyloxy)-2-octenyl]-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl benzoate (Z)-(1S,5R,6R,7R,1'R)-7-Benzyloxy-6-(1'-benzyloxyoct-2'-enyl)-2-oxabicyclo[3.3.0]octan-3-one benzoic acid[(3aR,4R,5R,6aS)-4-[(Z,1R)-1-benzoyloxyoct-2-enyl]-2-keto-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl]ester benzoic acid[(3aR,4R,5R,6aS)-4-[(Z,1R)-1-benzoyloxyoct-2-enyl]-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl]ester [(3aR,4R,5R,6aS)-2-oxidanylidene-4-[(Z,1R)-1-(phenylcarbonyloxy)oct-2-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl]benzoate [(3aR,4R,5R,6aS)-4-[(Z,1R)-1-benzoyloxyoct-2-enyl]-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl]benzoate benzoic acid [(3aR,4R,5R,6aS)-4-[(Z,1R)-1-benzoyloxyoct-2-enyl]-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] ester [(3aR,4R,5R,6aS)-4-[(Z,1R)-1-benzoyloxyoct-2-enyl]-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate [(3aR,4R,5R,6aS)-2-oxidanylidene-4-[(Z,1R)-1-(phenylcarbonyloxy)oct-2-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate
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-YHTCVWLTSA-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-0902000000-d491dd8f016ca8b67769
Source of Spectrum KC-0-2698-47
Wiley ID 826245