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ent-7-[(14.alpha. H)-isocopal-12-en-15-yl]-6-methyl-(E)-5-hepten-2-one
SpectraBase Compound ID BDJYCdI7amG
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-DWVRYUSWSA-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 GyinhFhdI6r
Name ent-7-[(14.alpha. H)-isocopal-12-en-15-yl]-6-methyl-(E)-5-hepten-2-one
CAS Registry Number 121522-10-9
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-DWVRYUSWSA-N
Molecular Weight 398.675 g/mol
SMILES [C@@]12(C([C@@]3(CCCC(C3CC2)(C)C)C)CC=C([C@]1(CC\C(=C\CCC(=O)C)C)[H])C)C
SPLASH splash10-000i-0921000000-d321135aa4c637e29f9e
Source of Spectrum F-44-2520-34
Synonyms (5E)-8-[(8alpha,10alpha,14beta)-8,13-dimethylpodocarp-12-en-14-yl]-6-methyl-5-octen-2-one
Wiley ID 1368788