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Annularin G
SpectraBase Compound ID D5UWJpJ1fXU
InChI InChI=1S/C9H14O4/c1-3-6(10)4-8-7(12-2)5-9(11)13-8/h5-6,8,10H,3-4H2,1-2H3/t6-,8?/m0/s1
InChIKey SZLBWIXYZSVWJX-UUEFVBAFSA-N
Mol Weight 186.21 g/mol
Molecular Formula C9H14O4
Exact Mass 186.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KIGm2QXtoqy
Name Annularin G
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O4
InChI InChI=1S/C9H14O4/c1-3-6(10)4-8-7(12-2)5-9(11)13-8/h5-6,8,10H,3-4H2,1-2H3/t6-,8?/m0/s1
InChIKey SZLBWIXYZSVWJX-UUEFVBAFSA-N
Ionization Type EI
Literature Reference DOI 10.1021/np030225y
Molecular Weight 186.207 g/mol
Optical Rotation [a]D = +35 (c = 0.1, CH2Cl2)
SMILES O[C@](CC1OC(C=C1OC)=O)(CC)[H]
SPLASH splash10-0409-4900000000-aa48a5571575cb93159b
Source of Spectrum G4-66-1305-7
Wiley ID 1883896