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4,5-ALPHA-DIHYDROXY-5-(8'9'-HEPTADECENYL)-2-CYClOHEXENONE
SpectraBase Compound ID 5utUSn1doh5
InChI InChI=1S/C23H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23(26)20-21(24)17-18-22(23)25/h9-10,17-18,22,25-26H,2-8,11-16,19-20H2,1H3/b10-9-/t22-,23+/m0/s1
InChIKey ZPYABTHUTGWONW-SNZQZGEVSA-N
Mol Weight 364.6 g/mol
Molecular Formula C23H40O3
Exact Mass 364.297745 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7q7ykWBworr
Name (4S,5R)-5-[(Z)-heptadec-8-enyl]-4,5-bis(oxidanyl)cyclohex-2-en-1-one
Alternate Name(s) (4S,5R)-5-[(Z)-heptadec-8-enyl]-4,5-dihydroxy-1-cyclohex-2-enone (4S,5R)-5-[(Z)-heptadec-8-enyl]-4,5-dihydroxy-cyclohex-2-en-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H40O3
InChI InChI=1S/C23H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23(26)20-21(24)17-18-22(23)25/h9-10,17-18,22,25-26H,2-8,11-16,19-20H2,1H3/b10-9-/t22-,23+/m0/s1
InChIKey ZPYABTHUTGWONW-SNZQZGEVSA-N
Molecular Weight 364.570 g/mol
SMILES O[C@]1(C=CC(C[C@]1(O)CCCCCCC\C=C/CCCCCCCC)=O)[H]
SPLASH splash10-01qa-9305000000-ee46aabad39d5c91a644
Source of Spectrum G4-60-120-8
Wiley ID 1606639