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(3S,6R,7S,8S)-1,3,7-Trihydroxy-4,4,6,8,12-pentamethyl-12-tridecen-5-one
SpectraBase Compound ID 1dZDpIBpLid
InChI InChI=1S/C18H34O4/c1-12(2)8-7-9-13(3)16(21)14(4)17(22)18(5,6)15(20)10-11-19/h13-16,19-21H,1,7-11H2,2-6H3/t13-,14+,15-,16-/m0/s1
InChIKey ADLOLDNFUSHTEF-FZKCQIBNSA-N
Mol Weight 314.5 g/mol
Molecular Formula C18H34O4
Exact Mass 314.24571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AobKJQmbH7u
Name (3S,6R,7S,8S)-1,3,7-Trihydroxy-4,4,6,8,12-pentamethyl-12-tridecen-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H34O4
InChI InChI=1S/C18H34O4/c1-12(2)8-7-9-13(3)16(21)14(4)17(22)18(5,6)15(20)10-11-19/h13-16,19-21H,1,7-11H2,2-6H3/t13-,14+,15-,16-/m0/s1
InChIKey ADLOLDNFUSHTEF-FZKCQIBNSA-N
Molecular Weight 314.466 g/mol
SMILES OCC[C@@](C(C([C@@]([C@]([C@](CCCC(=C)C)(C)[H])(O)[H])(C)[H])=O)(C)C)(O)[H]
SPLASH splash10-0592-2960000000-04115e5931068524094a
Source of Spectrum QE-5-2496-10
Synonyms (3S,6R,7S,8S)-1,3,7-trihydroxy-4,4,6,8,12-pentamethyl-tridec-12-en-5-one (3S,6R,7S,8S)-4,4,6,8,12-pentamethyl-1,3,7-tris(oxidanyl)tridec-12-en-5-one
Wiley ID 844275