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Agistatine A
SpectraBase Compound ID B3Uw9unQHP9
InChI InChI=1S/C12H18O5/c1-3-7-4-5-9-12(15,11(7)14)8(13)6-10(16-2)17-9/h5,7,10-11,14-15H,3-4,6H2,1-2H3/t7-,10+,11-,12-/m1/s1
InChIKey LCBIELLEGUXJNQ-UYZPKGHCSA-N
Mol Weight 242.27 g/mol
Molecular Formula C12H18O5
Exact Mass 242.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8xCdzFlzc3x
Name Agistatine A
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O5
InChI InChI=1S/C12H18O5/c1-3-7-4-5-9-12(15,11(7)14)8(13)6-10(16-2)17-9/h5,7,10-11,14-15H,3-4,6H2,1-2H3/t7-,10+,11-,12-/m1/s1
InChIKey LCBIELLEGUXJNQ-UYZPKGHCSA-N
Molecular Weight 242.271 g/mol
SMILES O[C@@]1([C@@](CC=C2[C@@]1(C(C[C@](O2)(OC)[H])=O)O)(CC)[H])[H]
SPLASH splash10-01p9-4910000000-2f84496becc59d2d4c9b
Source of Spectrum U-1996-631-1
Synonyms (2S,4aS,5R,6R)-6-ethyl-4a,5-dihydroxy-2-methoxy-2,3,4a,5,6,7-hexahydro-4H-chromen-4-one (2S,4aS,5R,6R)-6-Ethyl-4a,5-dihydroxy-2-methoxy-2,3,4a,5,6,7-hexahydro-chromen-4-one
Wiley ID 768311