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Cladospolide B
SpectraBase Compound ID JryJBPnNoym
InChI InChI=1S/C12H20O4/c1-9-5-3-2-4-6-10(13)11(14)7-8-12(15)16-9/h7-11,13-14H,2-6H2,1H3/b8-7-/t9-,10+,11+/m1/s1
InChIKey PLHJPQNLCWFPFY-DCOWIPOFSA-N
Mol Weight 228.29 g/mol
Molecular Formula C12H20O4
Exact Mass 228.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EWFnNkDctpV
Name Cladospolide B
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O4
InChI InChI=1S/C12H20O4/c1-9-5-3-2-4-6-10(13)11(14)7-8-12(15)16-9/h7-11,13-14H,2-6H2,1H3/b8-7-/t9-,10+,11+/m1/s1
InChIKey PLHJPQNLCWFPFY-DCOWIPOFSA-N
Molecular Weight 228.288 g/mol
SMILES O[C@@]1([C@](CCCCC[C@](OC(\C=C/1)=O)(C)[H])(O)[H])[H]
SPLASH splash10-0zgi-6900000000-58e26527bcd7ef7dd26b
Source of Spectrum F5-3-1086-2
Synonyms (5S,6S,12R,Z)-5,6-dihydroxy-12-methyloxacyclododec-3-en-2-one (3Z,5S,6S,12R)-12-methyl-5,6-bis(oxidanyl)-1-oxacyclododec-3-en-2-one
Wiley ID 1732213