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Ascofuranone
SpectraBase Compound ID 1F26YwCx6Sn
InChI InChI=1S/C23H29ClO5/c1-13(7-6-8-14(2)18-11-19(26)23(4,5)29-18)9-10-16-21(27)17(12-25)15(3)20(24)22(16)28/h8-9,12,18,27-28H,6-7,10-11H2,1-5H3/b13-9+,14-8+
InChIKey VGYPZLGWVQQOST-UAUIHIKDSA-N
Mol Weight 420.93 g/mol
Molecular Formula C23H29ClO5
Exact Mass 420.170352 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IS0udbNqQkm
Name Ascofuranone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H29ClO5
InChI InChI=1S/C23H29ClO5/c1-13(7-6-8-14(2)18-11-19(26)23(4,5)29-18)9-10-16-21(27)17(12-25)15(3)20(24)22(16)28/h8-9,12,18,27-28H,6-7,10-11H2,1-5H3/b13-9+,14-8+
InChIKey VGYPZLGWVQQOST-UAUIHIKDSA-N
Molecular Weight 420.933 g/mol
SMILES Oc1c(c(c(c(c1C\C=C\(CC\C=C\(C1OC(C)(C)C(C1)=O)C)C)O)C=O)C)Cl
SPLASH splash10-0fdk-7950100000-12a85371a7895c1c8356
Source of Spectrum AJ-68-2732-4
Synonyms 3-Chloranyl-5-[(2E,6E)-7-(5,5-dimethyl-4-oxidanylidene-oxolan-2-yl)-3-methyl-octa-2,6-dienyl]-2-methyl-4,6-bis(oxidanyl)benzaldehyde 5-Chloro-2,4-dihydroxy-3-[(2E,6E)-7-(4-keto-5,5-dimethyl-tetrahydrofuran-2-yl)-3-methyl-octa-2,6-dienyl]-6-methyl-benzaldehyde 5-Chloro-3-[(2E,6E)-7-(5,5-dimethyl-4-oxo-2-oxolanyl)-3-methylocta-2,6-dienyl]-2,4-dihydroxy-6-methylbenzaldehyde 5-Chloro-3-[(2E,6E)-7-(5,5-dimethyl-4-oxo-tetrahydrofuran-2-yl)-3-methyl-octa-2,6-dienyl]-2,4-dihydroxy-6-methyl-benzaldehyde 5-Chloro-3-[(2E,6E)-7-(5,5-dimethyl-4-oxooxolan-2-yl)-3-methylocta-2,6-dienyl]-2,4-dihydroxy-6-methylbenzaldehyde
Wiley ID 773352