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Dihydroagistatine A
SpectraBase Compound ID Cdy2TXZfEiz
InChI InChI=1S/C12H20O5/c1-3-7-4-5-9-12(15,11(7)14)8(13)6-10(16-2)17-9/h7,9-11,14-15H,3-6H2,1-2H3/t7-,9?,10+,11-,12-/m1/s1
InChIKey LFTWYXMYPZNSAX-ZJOVIXIUSA-N
Mol Weight 244.29 g/mol
Molecular Formula C12H20O5
Exact Mass 244.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LEeOpYEcsa1
Name Dihydroagistatine A
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O5
InChI InChI=1S/C12H20O5/c1-3-7-4-5-9-12(15,11(7)14)8(13)6-10(16-2)17-9/h7,9-11,14-15H,3-6H2,1-2H3/t7-,9?,10+,11-,12-/m1/s1
InChIKey LFTWYXMYPZNSAX-ZJOVIXIUSA-N
Molecular Weight 244.287 g/mol
SMILES O[C@@]1([C@@](CCC2O[C@@](CC([C@]12O)=O)(OC)[H])(CC)[H])[H]
SPLASH splash10-03du-2900000000-f51b402180ecbacc7c49
Source of Spectrum U-1996-632-5
Synonyms (2S,4aS,5R,6R)-6-ethyl-4a,5-dihydroxy-2-methoxyoctahydro-4H-chromen-4-one
Wiley ID 768307