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Sequoiatone C
SpectraBase Compound ID HaewhQ54y0T
InChI InChI=1S/C22H30O5/c1-6-7-8-9-10-14(2)18(23)13-17-19(21(24)26-5)16-11-12-27-15(3)20(16)22(17,4)25/h11-14,25H,6-10H2,1-5H3/b17-13+/t14-,22+/m0/s1
InChIKey DYUPDLYFDGWNBP-TVXHFNGESA-N
Mol Weight 374.48 g/mol
Molecular Formula C22H30O5
Exact Mass 374.209324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2jlLuN8AZ54
Name Sequoiatone C
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30O5
InChI InChI=1S/C22H30O5/c1-6-7-8-9-10-14(2)18(23)13-17-19(21(24)26-5)16-11-12-27-15(3)20(16)22(17,4)25/h11-14,25H,6-10H2,1-5H3/b17-13+/t14-,22+/m0/s1
InChIKey DYUPDLYFDGWNBP-TVXHFNGESA-N
Molecular Weight 374.477 g/mol
SMILES O[C@]1(C2=C(OC=CC2=C(\C1=C\C(=O)[C@](CCCCCC)(C)[H])C(=O)OC)C)C
SPLASH splash10-03di-0191000000-7ac76cf4ca464b40afb9
Source of Spectrum G4-64-1353-1
Synonyms (6E,7R)-7-hydroxy-1,7-dimethyl-6-[(3S)-3-methyl-2-oxononylidene]-5-cyclopenta[c]pyrancarboxylic acid methyl ester Methyl (6E,7R)-7-hydroxy-1,7-dimethyl-6-[(3S)-3-methyl-2-oxononylidene]cyclopenta[c]pyran-5-carboxylate Methyl (6E,7R)-7-hydroxy-1,7-dimethyl-6-[(3S)-3-methyl-2-oxo-nonylidene]cyclopenta[c]pyran-5-carboxylate Methyl (6E,7R)-1,7-dimethyl-6-[(3S)-3-methyl-2-oxidanylidene-nonylidene]-7-oxidanyl-cyclopenta[c]pyran-5-carboxylate
Wiley ID 1609274