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7-(12-isocopalen-15-yl)-6-methyl-(E)-5-hepten-2-one
SpectraBase Compound ID AnfC84x8JQ5
InChI InChI=1S/C28H46O/c1-20(10-8-11-22(3)29)12-14-23-21(2)13-15-25-27(23,6)19-16-24-26(4,5)17-9-18-28(24,25)7/h10,13,23-25H,8-9,11-12,14-19H2,1-7H3/b20-10+/t23?,24?,25?,27-,28-/m1/s1
InChIKey RAUCVBGKBLPZNE-VZMFTKQDSA-N
Mol Weight 398.7 g/mol
Molecular Formula C28H46O
Exact Mass 398.354866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ElgUbveNJIo
Name 7-(12-isocopalen-15-yl)-6-methyl-(E)-5-hepten-2-one
CAS Registry Number 121452-32-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H46O
InChI InChI=1S/C28H46O/c1-20(10-8-11-22(3)29)12-14-23-21(2)13-15-25-27(23,6)19-16-24-26(4,5)17-9-18-28(24,25)7/h10,13,23-25H,8-9,11-12,14-19H2,1-7H3/b20-10+/t23?,24?,25?,27-,28-/m1/s1
InChIKey RAUCVBGKBLPZNE-VZMFTKQDSA-N
Molecular Weight 398.675 g/mol
SMILES [C@@]12(C([C@@]3(CCCC(C3CC2)(C)C)C)CC=C(C1CC\C(=C\CCC(=O)C)C)C)C
SPLASH splash10-00dl-0590000000-c70333d364f09185bca7
Source of Spectrum F-44-2518-21
Synonyms (5E)-8-[(8alpha,10alpha)-8,13-dimethylpodocarp-12-en-14-yl]-6-methyl-5-octen-2-one
Wiley ID 1368787