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Methyl-cleomiscosin A
SpectraBase Compound ID FR9uJwoLpON
InChI InChI=1S/C21H20O8/c1-24-13-6-4-11(8-14(13)25-2)18-16(10-22)27-21-19-12(5-7-17(23)28-19)9-15(26-3)20(21)29-18/h4-9,16,18,22H,10H2,1-3H3/t16-,18-/m1/s1
InChIKey YJINBIPHZOTKQM-SJLPKXTDSA-N
Mol Weight 400.38 g/mol
Molecular Formula C21H20O8
Exact Mass 400.115818 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L8dU0Gs8ow9
Name Methyl-cleomiscosin A
Alternate Name(s) 6-(3',4-Dimehtoxyphenyl)-5-(hydroxymethyl)-1,4-dioxacyclohexano[2,3-h]benzopyran
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20O8
InChI InChI=1S/C21H20O8/c1-24-13-6-4-11(8-14(13)25-2)18-16(10-22)27-21-19-12(5-7-17(23)28-19)9-15(26-3)20(21)29-18/h4-9,16,18,22H,10H2,1-3H3/t16-,18-/m1/s1
InChIKey YJINBIPHZOTKQM-SJLPKXTDSA-N
Molecular Weight 400.383 g/mol
SMILES OC[C@@]1([C@@](c2cc(OC)c(cc2)OC)(Oc2c(O1)c1OC(=O)C=Cc1cc2OC)[H])[H]
SPLASH splash10-0udl-2913100000-9009d5261c7f8bae3c99
Source of Spectrum X2-47-302-3
Wiley ID 1601360