SpectraBase Spectrum ID |
GTHI0MtFCY1 |
Name |
3-Oxo-cembra-7,11,15(17)-tetraen-16,14-olide [4(R)-euniolone] |
Comments |
Removed - expert review: contamination (CH2Cl2); A corrected record has been addded having SpectrumID: 1821158 |
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 |
splash10-000t-9100000000-b0e1e162c8cec0baa3d8 |
Source of Spectrum |
F-57-101-4 |
Wiley ID |
1549080 |