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(Z)-(1S,5R,6R,7R,1'R)-7-Benzoyloxy-6-(1'-N-phenylcarbamyloxyoct-2'-enyl)-2-oxabicyclo[3.3.0]octan-3-one
SpectraBase Compound ID FGjYk0UFiS6
InChI InChI=1S/C29H33NO6/c1-2-3-4-5-12-17-23(36-29(33)30-21-15-10-7-11-16-21)27-22-18-26(31)34-24(22)19-25(27)35-28(32)20-13-8-6-9-14-20/h6-17,22-25,27H,2-5,18-19H2,1H3,(H,30,33)/b17-12-/t22-,23+,24-,25+,27-/m0/s1
InChIKey VNURCWZJQIYEFT-YHTCVWLTSA-N
Mol Weight 491.6 g/mol
Molecular Formula C29H33NO6
Exact Mass 491.230788 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2iodhkVsSO
Name (Z)-(1S,5R,6R,7R,1'R)-7-Benzoyloxy-6-(1'-N-phenylcarbamyloxyoct-2'-enyl)-2-oxabicyclo[3.3.0]octan-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H33NO6
InChI InChI=1S/C29H33NO6/c1-2-3-4-5-12-17-23(36-29(33)30-21-15-10-7-11-16-21)27-22-18-26(31)34-24(22)19-25(27)35-28(32)20-13-8-6-9-14-20/h6-17,22-25,27H,2-5,18-19H2,1H3,(H,30,33)/b17-12-/t22-,23+,24-,25+,27-/m0/s1
InChIKey VNURCWZJQIYEFT-YHTCVWLTSA-N
Molecular Weight 491.584 g/mol
SMILES N(C(O[C@@]([C@@]1([C@@]2([C@@](OC(C2)=O)(C[C@]1(OC(=O)c1ccccc1)[H])[H])[H])[H])(\C=C/CCCCC)[H])=O)c1ccccc1
SPLASH splash10-0aor-0900000000-47f2764e0741eae91a7a
Source of Spectrum KC-0-2698-51
Wiley ID 826242