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2H-Anthra[1,2-b]pyran-5-acetic acid, 3,4,7,12-tetrahydro-6-hydroxy-2-methyl-7,12-dioxo-, methyl ester
SpectraBase Compound ID 7YIgEV2Wcr0
InChI InChI=1S/C21H18O6/c1-10-7-8-13-14(9-15(22)26-2)20(25)16-17(21(13)27-10)19(24)12-6-4-3-5-11(12)18(16)23/h3-6,10,25H,7-9H2,1-2H3
InChIKey FWSSUGKZVICXKO-UHFFFAOYSA-N
Mol Weight 366.37 g/mol
Molecular Formula C21H18O6
Exact Mass 366.110338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1RmNRmq5Xk
Name 2H-Anthra[1,2-b]pyran-5-acetic acid, 3,4,7,12-tetrahydro-6-hydroxy-2-methyl-7,12-dioxo-, methyl ester
CAS Registry Number 69016-83-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18O6
InChI InChI=1S/C21H18O6/c1-10-7-8-13-14(9-15(22)26-2)20(25)16-17(21(13)27-10)19(24)12-6-4-3-5-11(12)18(16)23/h3-6,10,25H,7-9H2,1-2H3
InChIKey FWSSUGKZVICXKO-UHFFFAOYSA-N
Molecular Weight 366.369 g/mol
SMILES Oc1c2c(C(c3c(cccc3)C2=O)=O)c2c(c1CC(=O)OC)CCC(O2)C
SPLASH splash10-066u-0059000000-8ccaa7778e02699fac80
Source of Spectrum K-111-3836-0
Synonyms Methyl (6-hydroxy-2-methyl-7,12-dioxo-3,4,7,12-tetrahydro-2H-naphtho[2,3-h]chromen-5-yl)acetate Methyl ester of 3,4,7,12-tetrahydro-6-hydroxy-2-methyl-7,12-dioxo-2H-anthra(1,2-b)pyran-5-methylcarboxylic acid
Wiley ID 1351986