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Ligustenin D
SpectraBase Compound ID IZ39ihOqPao
InChI InChI=1S/C27H28O7/c1-14(28)18-7-16-9-24(33-22(16)11-20(18)30)26(3,4)13-27(5,32-6)25-10-17-8-19(15(2)29)21(31)12-23(17)34-25/h7-12,30-31H,13H2,1-6H3
InChIKey VXSKAFYHLWFGKM-UHFFFAOYSA-N
Mol Weight 464.51 g/mol
Molecular Formula C27H28O7
Exact Mass 464.183503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID TDSjutCvT7
Name Ligustenin D
Alternate Name(s) 1,1'-((2-methoxy-4-methylpentane-2,4-diyl)bis(6-hydroxybenzofuran-2,5-diyl))bis(ethan-1-one)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H28O7
InChI InChI=1S/C27H28O7/c1-14(28)18-7-16-9-24(33-22(16)11-20(18)30)26(3,4)13-27(5,32-6)25-10-17-8-19(15(2)29)21(31)12-23(17)34-25/h7-12,30-31H,13H2,1-6H3
InChIKey VXSKAFYHLWFGKM-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200400130
Molecular Weight 464.514 g/mol
SMILES Oc1c(cc2cc(C(CC(c3cc4c(cc(c(c4)C(=O)C)O)o3)(C)OC)(C)C)oc2c1)C(=O)C
SPLASH splash10-014l-3090000000-9469d32c60c98d2df671
Source of Spectrum QA-51-868-4
Wiley ID 1795963