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QUESTIN;MT-I;EMODIN-8-O-METHYLETHER
SpectraBase Compound ID C0F85GobZXT
InChI InChI=1S/C16H12O5/c1-7-3-9-13(11(18)4-7)16(20)14-10(15(9)19)5-8(17)6-12(14)21-2/h3-6,17-18H,1-2H3
InChIKey UUNPIWCQMVNINR-UHFFFAOYSA-N
Mol Weight 284.27 g/mol
Molecular Formula C16H12O5
Exact Mass 284.068473 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3aFOtZl56W
Name Emodin-8-O-methylether [questin]
CAS Registry Number 3774-64-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12O5
InChI InChI=1S/C16H12O5/c1-7-3-9-13(11(18)4-7)16(20)14-10(15(9)19)5-8(17)6-12(14)21-2/h3-6,17-18H,1-2H3
InChIKey UUNPIWCQMVNINR-UHFFFAOYSA-N
Molecular Weight 284.267 g/mol
SMILES Oc1cc2c(C(c3c(cc(cc3C2=O)C)O)=O)c(c1)OC
SPLASH splash10-003r-7490000000-5a88c9fd8e944c689957
Source of Spectrum E2-47-1431-1
Synonyms 9,10-Anthracenedione, 1,6-dihydroxy-8-methoxy-3-methyl- 1,6-Dihydroxy-8-methoxy-3-methylanthracene-9,10-dione 1,6-Dihydroxy-8-methoxy-3-methyl-9,10-anthraquinone 1,6-Dihydroxy-8-methoxy-3-methyl-anthracene-9,10-dione 1-Methoxy-6-methyl-3,8-bis(oxidanyl)anthracene-9,10-dione Emodin-8-methyl ether Questin
Wiley ID 1554999