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INDICOLACTONEDIOL
SpectraBase Compound ID 2ow7g842IFn
InChI InChI=1S/C21H20O8/c1-11-7-14(28-20(11)24)9-21(2,25)15(22)10-27-19-17-13(5-6-26-17)8-12-3-4-16(23)29-18(12)19/h3-8,14-15,22,25H,9-10H2,1-2H3
InChIKey AJEDMWQPEGCRLJ-UHFFFAOYSA-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 5Mn19MUP1pM
Name Oct-2-enonic acid, 2,3,5-trideoxy-2-methyl-6-C-methyl-8-O-(7-oxo-7H-furo[3,2-g][1]benzopyran-9-yl)-, .gamma.-lactone
CAS Registry Number 68729-09-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20O8
InChI InChI=1S/C21H20O8/c1-11-7-14(28-20(11)24)9-21(2,25)15(22)10-27-19-17-13(5-6-26-17)8-12-3-4-16(23)29-18(12)19/h3-8,14-15,22,25H,9-10H2,1-2H3
InChIKey AJEDMWQPEGCRLJ-UHFFFAOYSA-N
Molecular Weight 400.383 g/mol
SMILES OC(C(COc1c2OC(=O)C=Cc2cc2c1occ2)O)(CC1OC(=O)C(=C1)C)C
SPLASH splash10-0ufr-9150000000-f7c53368cb0bd0580b01
Source of Spectrum W5-33561-31975-31975
Synonyms 5-[2,3-dihydroxy-2-methyl-4-({2-oxo-2H-furo[3,2-g]chromen-9-yl}oxy)butyl]-3-methyl-2,5-dihydrofuran-2-one
Wiley ID 1369323