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(9E)-11A-Hydroxy-3,6,10-trimethyl-6,7,8,11-tetrahydro-4H-cyclodeca[B]furan-2,5-dione, ac derivative
SpectraBase Compound ID KWai1X7QR3f
InChI InChI=1S/C17H22O5/c1-10-6-5-7-11(2)15(19)8-14-12(3)16(20)22-17(14,9-10)21-13(4)18/h6,11H,5,7-9H2,1-4H3/b10-6+
InChIKey NGHLDEHTTNCBBP-UXBLZVDNSA-N
Mol Weight 306.36 g/mol
Molecular Formula C17H22O5
Exact Mass 306.146724 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3eYchKfEg4v
Name (9E)-11A-Hydroxy-3,6,10-trimethyl-6,7,8,11-tetrahydro-4H-cyclodeca[B]furan-2,5-dione, ac derivative
Comments Computed using HOSE algorithm
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Exact Mass 306.146723803 u
Formula C17H22O5
InChI InChI=1S/C17H22O5/c1-10-6-5-7-11(2)15(19)8-14-12(3)16(20)22-17(14,9-10)21-13(4)18/h6,11H,5,7-9H2,1-4H3/b10-6+
InChIKey NGHLDEHTTNCBBP-UXBLZVDNSA-N
Molecular Weight 306.358 g/mol
SMILES CC(=O)OC12C\C(C)=C\CCC(C)C(=O)CC1=C(C)C(=O)O2