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Pandangolide-3
SpectraBase Compound ID BzsqFc8Vnff
InChI InChI=1S/C16H26O7S/c1-10-6-4-3-5-7-11(17)15(20)13(8-14(19)23-10)24-9-12(18)16(21)22-2/h10-13,17-18H,3-9H2,1-2H3
InChIKey VZIWNOAEUWFTFJ-UHFFFAOYSA-N
Mol Weight 362.44 g/mol
Molecular Formula C16H26O7S
Exact Mass 362.139924 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4L7TfytDZwv
Name Pandangolide-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H26O7S
InChI InChI=1S/C16H26O7S/c1-10-6-4-3-5-7-11(17)15(20)13(8-14(19)23-10)24-9-12(18)16(21)22-2/h10-13,17-18H,3-9H2,1-2H3
InChIKey VZIWNOAEUWFTFJ-UHFFFAOYSA-N
Molecular Weight 362.437 g/mol
SMILES OC1C(C(SCC(C(=O)OC)O)CC(OC(CCCCC1)C)=O)=O
SPLASH splash10-03di-0019000000-3d428cf6e973112668cb
Source of Spectrum G4-64-529-1
Synonyms 5-Hydroxy-3-{2'-(methoxycarbonyl)-2'-hydroxyethyl]thio}-11-methyl-12-oxacyclododecane-1,4-dione 2-Hydroxy-3-[(6-hydroxy-12-methyl-2,5-dioxo-oxacyclododec-4-yl)thio]propanoic acid methyl ester Methyl 2-hydroxy-3-[(6-hydroxy-12-methyl-2,5-dioxo-oxacyclododec-4-yl)sulfanyl]propanoate Methyl 3-[[12-methyl-6-oxidanyl-2,5-bis(oxidanylidene)-1-oxacyclododec-4-yl]sulfanyl]-2-oxidanyl-propanoate
Wiley ID 1608920