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Sequoiatone D
SpectraBase Compound ID Es7FUE9f69q
InChI InChI=1S/C22H30O6/c1-14(9-7-5-6-8-10-23)19(24)12-17-20(21(25)27-4)16-11-15(2)28-13-18(16)22(17,3)26/h11-14,23,26H,5-10H2,1-4H3/b17-12+/t14-,22+/m0/s1
InChIKey WGHKHGDABDZHGB-JVEVTSHPSA-N
Mol Weight 390.48 g/mol
Molecular Formula C22H30O6
Exact Mass 390.204239 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EmPyxdmWpkR
Name Sequoiatone D
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30O6
InChI InChI=1S/C22H30O6/c1-14(9-7-5-6-8-10-23)19(24)12-17-20(21(25)27-4)16-11-15(2)28-13-18(16)22(17,3)26/h11-14,23,26H,5-10H2,1-4H3/b17-12+/t14-,22+/m0/s1
InChIKey WGHKHGDABDZHGB-JVEVTSHPSA-N
Molecular Weight 390.476 g/mol
SMILES O[C@]1(C2=COC(=CC2=C(\C1=C/C([C@](CCCCCCO)(C)[H])=O)C(=O)OC)C)C
SPLASH splash10-03di-0091000000-5d272f8f10b070e85d34
Source of Spectrum G4-64-1353-2
Synonyms (6E,7R)-7-hydroxy-6-[(3S)-9-hydroxy-3-methyl-2-oxononylidene]-3,7-dimethyl-5-cyclopenta[c]pyrancarboxylic acid methyl ester Methyl (6E,7R)-7-hydroxy-6-[(3S)-9-hydroxy-3-methyl-2-oxononylidene]-3,7-dimethylcyclopenta[c]pyran-5-carboxylate Methyl (6E,7R)-7-hydroxy-6-[(3S)-9-hydroxy-3-methyl-2-oxo-nonylidene]-3,7-dimethyl-cyclopenta[c]pyran-5-carboxylate Methyl (6E,7R)-3,7-dimethyl-6-[(3S)-3-methyl-9-oxidanyl-2-oxidanylidene-nonylidene]-7-oxidanyl-cyclopenta[c]pyran-5-carboxylate
Wiley ID 1609273