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13-[3'-Hydroxy-5'-methyl-5'-propyltetrahydrofuran-2'-yl]-8-(acetylmethyl)-9,11-dimethyl-6-oxo-7-oxatrideca-2,10-dienoic Acid

View entire compound with spectra: 1 MS (GC)

13-[3'-Hydroxy-5'-methyl-5'-propyltetrahydrofuran-2'-yl]-8-(acetylmethyl)-9,11-dimethyl-6-oxo-7-oxatrideca-2,10-dienoic Acid
SpectraBase Compound ID IFz0SFylUll
InChI InChI=1S/C25H40O7/c1-6-13-25(5)16-20(27)21(32-25)12-11-17(2)14-18(3)22(15-19(4)26)31-24(30)10-8-7-9-23(28)29/h7,9,14,18,20-22,27H,6,8,10-13,15-16H2,1-5H3,(H,28,29)/b9-7-,17-14+/t18-,20-,21+,22+,25-/m1/s1
InChIKey AKTMJFZMWJZYAJ-SSSVTKAMSA-N
Mol Weight 452.6 g/mol
Molecular Formula C25H40O7
Exact Mass 452.277404 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AgbEA821BIX
Name 13-[3'-Hydroxy-5'-methyl-5'-propyltetrahydrofuran-2'-yl]-8-(acetylmethyl)-9,11-dimethyl-6-oxo-7-oxatrideca-2,10-dienoic Acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H40O7
InChI InChI=1S/C25H40O7/c1-6-13-25(5)16-20(27)21(32-25)12-11-17(2)14-18(3)22(15-19(4)26)31-24(30)10-8-7-9-23(28)29/h7,9,14,18,20-22,27H,6,8,10-13,15-16H2,1-5H3,(H,28,29)/b9-7-,17-14+/t18-,20-,21+,22+,25-/m1/s1
InChIKey AKTMJFZMWJZYAJ-SSSVTKAMSA-N
Molecular Weight 452.588 g/mol
SMILES OC(\C=C/CCC(O[C@]([C@@](\C=C\(CC[C@]1([C@@](C[C@](O1)(CCC)C)(O)[H])[H])C)(C)[H])(CC(=O)C)[H])=O)=O
SPLASH splash10-0a4i-0911000000-107d911c288ef7c5760d
Source of Spectrum QE-15-4041-57
Wiley ID 1692799