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(3S,6R,7S,8S)-1,3,7-trihydroxy-4,4,6,8-tetramethyl-12-tetradecyn-5-one
SpectraBase Compound ID 7NlXYI0UXHN
InChI InChI=1S/C18H32O4/c1-6-7-8-9-10-13(2)16(21)14(3)17(22)18(4,5)15(20)11-12-19/h13-16,19-21H,8-12H2,1-5H3/t13-,14+,15-,16-/m0/s1
InChIKey QOIMXTCUFZRGJO-FZKCQIBNSA-N
Mol Weight 312.4 g/mol
Molecular Formula C18H32O4
Exact Mass 312.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7PO8fb93ZTU
Name (3S,6R,7S,8S)-1,3,7-trihydroxy-4,4,6,8-tetramethyl-12-tetradecyn-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H32O4
InChI InChI=1S/C18H32O4/c1-6-7-8-9-10-13(2)16(21)14(3)17(22)18(4,5)15(20)11-12-19/h13-16,19-21H,8-12H2,1-5H3/t13-,14+,15-,16-/m0/s1
InChIKey QOIMXTCUFZRGJO-FZKCQIBNSA-N
Molecular Weight 312.450 g/mol
SMILES OCC[C@@](C(C([C@@]([C@]([C@](CCCC#CC)(C)[H])(O)[H])(C)[H])=O)(C)C)(O)[H]
SPLASH splash10-0k9x-9300000000-e98129abb4f408330517
Source of Spectrum QE-7-5312-103
Synonyms (3S,6R,7S,8S)-1,3,7-trihydroxy-4,4,6,8-tetramethyl-tetradec-12-yn-5-one (3S,6R,7S,8S)-4,4,6,8-tetramethyl-1,3,7-tris(oxidanyl)tetradec-12-yn-5-one
Wiley ID 846243