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Crematofuran
SpectraBase Compound ID 7Rgt4RN0qgn
InChI InChI=1S/C20H28O2/c1-14(2)17-7-5-15(3)11-18-12-16(13-21-18)6-8-19-20(4,22-19)10-9-17/h5,12-13,17,19H,1,6-11H2,2-4H3/b15-5+/t17-,19+,20+/m0/s1
InChIKey JXMYPXXVMMCMHX-HNQAUDKKSA-N
Mol Weight 300.44 g/mol
Molecular Formula C20H28O2
Exact Mass 300.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BLU33qpfET8
Name Crematofuran
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O2
InChI InChI=1S/C20H28O2/c1-14(2)17-7-5-15(3)11-18-12-16(13-21-18)6-8-19-20(4,22-19)10-9-17/h5,12-13,17,19H,1,6-11H2,2-4H3/b15-5+/t17-,19+,20+/m0/s1
InChIKey JXMYPXXVMMCMHX-HNQAUDKKSA-N
Molecular Weight 300.442 g/mol
SMILES [C@]12(O[C@@]2(CCc2cc(oc2)C\C(=C\C[C@](C(=C)C)(CC1)[H])C)[H])C
SPLASH splash10-0pbc-1913000000-fd36ba0f5e764ee3ed86
Source of Spectrum F-56-2041-1
Synonyms (4R,6R,9R)-9-isopropenyl-6,12-dimethyl-5,15-dioxatricyclo[12.2.1.0(4,6)]heptadeca-1(16),11,14(17)-triene
Wiley ID 856217