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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DWmUAU2vCB1
Name Acutilactone
Alternate Name(s) (2S,3aS,6aR,E)-6-decylidene-3a-methyl-2-nonyldihydrofuro[2,3-d][1,3]dioxol-5(3aH)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
Literature Reference DOI 10.1002/jccs.200700071
Molecular Weight 408.623 g/mol
SMILES [C@@]12(\C(C(O[C@@]2(O[C@](O1)(CCCCCCCCC)[H])C)=O)=C/CCCCCCCCC)[H]
SPLASH splash10-000i-0790300000-6e23e4ad953eba6b53bf
Source of Spectrum QA-54-505-1
Wiley ID 1796295