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3(R)-Hydroxy-cembra-4(18),7,11,15(17)-tetraen-16,14-olide

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3(R)-Hydroxy-cembra-4(18),7,11,15(17)-tetraen-16,14-olide
SpectraBase Compound ID JyLMFOJ0X8l
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/h8-9,17-19,21H,3-7,10-12H2,1-2H3/b13-8+,14-9+/t17-,18+,19-/m0/s1
InChIKey RGUOFQJOZNORNM-JIWBDGMOSA-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 LkfjwPHYiRc
Name 3(R)-Hydroxy-cembra-4(18),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/h8-9,17-19,21H,3-7,10-12H2,1-2H3/b13-8+,14-9+/t17-,18+,19-/m0/s1
InChIKey RGUOFQJOZNORNM-JIWBDGMOSA-N
Molecular Weight 316.441 g/mol
SMILES C1(C([C@@]2(C[C@](C(=C)CC\C=C\(CC\C=C\(C[C@@]2(O1)[H])C)C)(O)[H])[H])=C)=O