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Acutilactone

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Acutilactone
SpectraBase Compound ID Bf3zgrkcfAW
InChI InChI=1S/C25H44O4/c1-4-6-8-10-12-14-15-17-19-21-23-25(3,29-24(21)26)28-22(27-23)20-18-16-13-11-9-7-5-2/h19,22-23H,4-18,20H2,1-3H3/b21-19+/t22-,23+,25-/m0/s1
InChIKey GFTJDZSXIJIXDB-VCWBDWOLSA-N
Mol Weight 408.6 g/mol
Molecular Formula C25H44O4
Exact Mass 408.32396 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 82GcM1Dcr31
Name Acutilactone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.323959893 u
Formula C25H44O4
InChI InChI=1S/C25H44O4/c1-4-6-8-10-12-14-15-17-19-21-23-25(3,29-24(21)26)28-22(27-23)20-18-16-13-11-9-7-5-2/h19,22-23H,4-18,20H2,1-3H3/b21-19+/t22-,23+,25-/m0/s1
InChIKey GFTJDZSXIJIXDB-VCWBDWOLSA-N
Molecular Weight 408.623 g/mol
SMILES [C@@]12(\C(C(O[C@@]2(O[C@](O1)(CCCCCCCCC)[H])C)=O)=C/CCCCCCCCC)[H]