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Wailupemycin A
SpectraBase Compound ID mwiPT8bJxs
InChI InChI=1S/C21H22O8/c1-28-15-8-16(29-19(25)9-15)11-20(26)10-14(22)7-18(24)21(20,27)12-17(23)13-5-3-2-4-6-13/h2-6,8-9,14,22,26-27H,7,10-12H2,1H3/t14-,20-,21-/m0/s1
InChIKey ZONQALFJVQODID-WVFSVQOHSA-N
Mol Weight 402.4 g/mol
Molecular Formula C21H22O8
Exact Mass 402.131468 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2e5DZeC7aYW
Name Wailupemycin A
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22O8
InChI InChI=1S/C21H22O8/c1-28-15-8-16(29-19(25)9-15)11-20(26)10-14(22)7-18(24)21(20,27)12-17(23)13-5-3-2-4-6-13/h2-6,8-9,14,22,26-27H,7,10-12H2,1H3/t14-,20-,21-/m0/s1
InChIKey ZONQALFJVQODID-WVFSVQOHSA-N
Molecular Weight 402.399 g/mol
SMILES O[C@@]1(C[C@@]([C@@](C(C1)=O)(CC(=O)c1ccccc1)O)(CC1=CC(OC)=CC(O1)=O)O)[H]
SPLASH splash10-0a70-2910000000-e3fc226d6bda769625b3
Source of Spectrum F-52-8079-1
Synonyms 4-Methoxy-6-[[(1S,2R,5R)-1,2,5-trihydroxy-3-oxo-2-phenacylcyclohexyl]methyl]-2-pyranone 4-Methoxy-6-[[(1S,2R,5R)-1,2,5-trihydroxy-3-oxo-2-phenacylcyclohexyl]methyl]pyran-2-one 4-Methoxy-6-[[(1S,2R,5R)-1,2,5-trihydroxy-3-oxo-2-phenacyl-cyclohexyl]methyl]pyran-2-one 4-Methoxy-6-[[(1S,2R,5R)-1,2,5-tris(oxidanyl)-3-oxidanylidene-2-phenacyl-cyclohexyl]methyl]pyran-2-one
Wiley ID 796951