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Agistatine D

View entire compound with spectra: 1 MS (GC)

Agistatine D
SpectraBase Compound ID 1lvPWpp4kUf
InChI InChI=1S/C11H14O4/c1-2-7-3-4-9-11(14,10(7)13)8(12)5-6-15-9/h4-7,10,13-14H,2-3H2,1H3/t7-,10-,11-/m1/s1
InChIKey JNJNTFPIOCKSTA-AVPPRXQKSA-N
Mol Weight 210.23 g/mol
Molecular Formula C11H14O4
Exact Mass 210.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3VTI3ElapE
Name Agistatine D
Alternate Name(s) (4aS,5R,6R)-6-ethyl-4a,5-dihydroxy-6,7-dihydro-5H-1-benzopyran-4-one (4aS,5R,6R)-6-ethyl-4a,5-bis(oxidanyl)-6,7-dihydro-5H-chromen-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14O4
InChI InChI=1S/C11H14O4/c1-2-7-3-4-9-11(14,10(7)13)8(12)5-6-15-9/h4-7,10,13-14H,2-3H2,1H3/t7-,10-,11-/m1/s1
InChIKey JNJNTFPIOCKSTA-AVPPRXQKSA-N
Molecular Weight 210.229 g/mol
SMILES O[C@@]1([C@@](CC=C2[C@@]1(C(C=CO2)=O)O)(CC)[H])[H]
SPLASH splash10-03dr-1920000000-673b1a563f132721810f
Source of Spectrum U-1996-632-3
Wiley ID 768309