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Granatumol
SpectraBase Compound ID 6lAgxSieLp5
InChI InChI=1S/C24H44O4/c1-7-19(25)21(27)16-24(6,28)15-8-10-17(2)12-13-20(26)22-18(3)11-9-14-23(22,4)5/h9,11-12,18-22,25-28H,7-8,10,13-16H2,1-6H3/b17-12+/t18-,19-,20-,21-,22?,24?/m0/s1
InChIKey LAWYTMOLUTUILN-XJUQOJIKSA-N
Mol Weight 396.6 g/mol
Molecular Formula C24H44O4
Exact Mass 396.32396 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8nHpWCKJM
Name Granatumol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H44O4
InChI InChI=1S/C24H44O4/c1-7-19(25)21(27)16-24(6,28)15-8-10-17(2)12-13-20(26)22-18(3)11-9-14-23(22,4)5/h9,11-12,18-22,25-28H,7-8,10,13-16H2,1-6H3/b17-12+/t18-,19-,20-,21-,22?,24?/m0/s1
InChIKey LAWYTMOLUTUILN-XJUQOJIKSA-N
Molecular Weight 396.612 g/mol
SMILES O[C@]([C@](CC(CCC\C(C)=C\C[C@@](C1[C@@](C)(C=CCC1(C)C)[H])(O)[H])(C)O)(O)[H])(CC)[H]
SPLASH splash10-0592-1960000000-dca6323c8e3275e84477
Source of Spectrum Y1-45B-255-2
Synonyms (1S,10S,11S,E)-4,8-dimethyl-1-((2S)-2,6,6-trimethylcyclohex-3-en-1-yl)tridec-3-ene-1,8,10,11-tetraol
Wiley ID 1744470