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3-Oxo-cembra-7,11,15(17)-tetraen-16,14-olide [4(R)-euniolone]
SpectraBase Compound ID 5hEmv31P87Y
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/h8-9,15,17,19H,4-7,10-12H2,1-3H3/b13-8+,14-9+/t15-,17+,19+/m1/s1
InChIKey CBVDZOMCJWVLMM-FWSRKYJNSA-N
Mol Weight 316.44 g/mol
Molecular Formula C20H28O3
Exact Mass 316.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8wAw3tszVfy
Name 3-Oxo-cembra-7,11,15(17)-tetraen-16,14-olide [4(R)-euniolone]
Comments Edited after expert review for CH2Cl2 contamination - Original record with SpectrumID 1549080 moved to the Legacy library
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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/h8-9,15,17,19H,4-7,10-12H2,1-3H3/b13-8+,14-9+/t15-,17+,19+/m1/s1
InChIKey CBVDZOMCJWVLMM-FWSRKYJNSA-N
Molecular Weight 316.441 g/mol
SMILES C1(C([C@@]2(CC(=O)[C@@](CC\C=C\(CC\C=C\(C[C@@]2(O1)[H])C)C)(C)[H])[H])=C)=O
SPLASH splash10-066r-5911000000-376ad1acf3cbc3d5b199
Source of Spectrum F-57-101-4
Wiley ID 1821158