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Loganin aglycone
SpectraBase Compound ID B4hJ0sLKxtR
InChI InChI=1S/C11H16O5/c1-5-8(12)3-6-7(10(13)15-2)4-16-11(14)9(5)6/h5-7,9,11,14H,3-4H2,1-2H3/t5-,6+,7?,9+,11?/m0/s1
InChIKey COFFFLPHVLKZEH-NXDRBTTOSA-N
Mol Weight 228.24 g/mol
Molecular Formula C11H16O5
Exact Mass 228.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 81Nl3V5EPJK
Name Loganin aglycone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O5
InChI InChI=1S/C11H16O5/c1-5-8(12)3-6-7(10(13)15-2)4-16-11(14)9(5)6/h5-7,9,11,14H,3-4H2,1-2H3/t5-,6+,7?,9+,11?/m0/s1
InChIKey COFFFLPHVLKZEH-NXDRBTTOSA-N
Molecular Weight 228.244 g/mol
SMILES OC1OCC([C@@]2([C@]1([C@@](C)(C(C2)=O)[H])[H])[H])C(=O)OC
SPLASH splash10-004r-7910000000-66aa3e79191c3b774655
Source of Spectrum T-67-2178-0
Synonyms Methyl (4aS,7R,7aS)-1-hydroxy-7-methyl-6-oxooctahydrocyclopenta[c]pyran-4-carboxylate
Wiley ID 30407