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Rotundifolide A
SpectraBase Compound ID 163DCufUWXo
InChI InChI=1S/C17H28O3/c1-3-4-5-6-7-8-9-10-11-12-13-15-16(18)14(2)20-17(15)19/h3,14,18H,1,4-13H2,2H3/t14-/m0/s1
InChIKey SGYSOXHPUSXRCM-AWEZNQCLSA-N
Mol Weight 280.41 g/mol
Molecular Formula C17H28O3
Exact Mass 280.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3z7TWDsOW0
Name Rotundifolide A
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H28O3
InChI InChI=1S/C17H28O3/c1-3-4-5-6-7-8-9-10-11-12-13-15-16(18)14(2)20-17(15)19/h3,14,18H,1,4-13H2,2H3/t14-/m0/s1
InChIKey SGYSOXHPUSXRCM-AWEZNQCLSA-N
Molecular Weight 280.408 g/mol
SMILES OC1=C(C(O[C@]1(C)[H])=O)CCCCCCCCCCC=C
SPLASH splash10-016r-5910000000-dfb081d4bec0c6c33651
Source of Spectrum C-88-352-1
Synonyms (5S)-3-(11-dodecenyl)-4-hydroxy-5-methyl-2(5H)-furanone (5S)-3-(Dodec-11'-enyl)-4-hydroxy-5-methylfuran-2(5H)-one (2S)-4-dodec-11-enyl-2-methyl-3-oxidanyl-2H-furan-5-one
Wiley ID 1590165