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3(R)-Hydroxy-cembra-4,7,11,15(17)-tetraen-16,14-olide

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3(R)-Hydroxy-cembra-4,7,11,15(17)-tetraen-16,14-olide
SpectraBase Compound ID 8r3dj0yluRp
InChI InChI=1S/C20H28O3/c1-13-7-5-9-14(2)11-19-17(16(4)20(22)23-19)12-18(21)15(3)10-6-8-13/h8-10,17-19,21H,4-7,11-12H2,1-3H3/b13-8+,14-9+,15-10-/t17-,18+,19-/m0/s1
InChIKey CLBGRVYFYFVXDH-WGIXNBJMSA-N
Mol Weight 316.44 g/mol
Molecular Formula C20H28O3
Exact Mass 316.203845 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9PuYUCSbrLA
Name 3(R)-Hydroxy-cembra-4,7,11,15(17)-tetraen-16,14-olide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 316.203844759 u
Formula C20H28O3
InChI InChI=1S/C20H28O3/c1-13-7-5-9-14(2)11-19-17(16(4)20(22)23-19)12-18(21)15(3)10-6-8-13/h8-10,17-19,21H,4-7,11-12H2,1-3H3/b13-8+,14-9+,15-10-/t17-,18+,19-/m0/s1
InChIKey CLBGRVYFYFVXDH-WGIXNBJMSA-N
Molecular Weight 316.441 g/mol
SMILES C1(C([C@@]2(C[C@](\C(=C/C\C=C\(CC\C=C\(C[C@@]2(O1)[H])C)C)C)(O)[H])[H])=C)=O