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Isobyakangelicin
SpectraBase Compound ID UJTWrsDtmn
InChI InChI=1S/C17H18O6/c1-17(2,19)7-9-22-13-10-4-5-12(18)23-15(10)16(20-3)14-11(13)6-8-21-14/h4-6,8,19H,7,9H2,1-3H3
InChIKey RAIHMSNYCWIINR-UHFFFAOYSA-N
Mol Weight 318.33 g/mol
Molecular Formula C17H18O6
Exact Mass 318.110338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ESf0lTXPJKz
Name Isobyakangelicin
CAS Registry Number 50791-60-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18O6
InChI InChI=1S/C17H18O6/c1-17(2,19)7-9-22-13-10-4-5-12(18)23-15(10)16(20-3)14-11(13)6-8-21-14/h4-6,8,19H,7,9H2,1-3H3
InChIKey RAIHMSNYCWIINR-UHFFFAOYSA-N
Molecular Weight 318.325 g/mol
SMILES OC(CCOc1c2c(c(c3c1cco3)OC)OC(C=C2)=O)(C)C
SPLASH splash10-017i-1192000000-664c633a7dbdd0adb7b6
Source of Spectrum CD-364-0-0
Synonyms 4-(3-hydroxy-3-methylbutoxy)-9-methoxy-7H-furo[3,2-g]chromen-7-one
Wiley ID 1318388