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2-(1,8-dihydroxy-3-methyl-9,10-dioxo-2-anthracenyl)-1,8-dihydroxy-3-methylanthracene-9,10-dione
SpectraBase Compound ID Gq29AX78xFB
InChI InChI=1S/C30H18O8/c1-11-9-15-23(29(37)21-13(25(15)33)5-3-7-17(21)31)27(35)19(11)20-12(2)10-16-24(28(20)36)30(38)22-14(26(16)34)6-4-8-18(22)32/h3-10,31-32,35-36H,1-2H3
InChIKey VUPMYTWJSPRETC-UHFFFAOYSA-N
Mol Weight 506.47 g/mol
Molecular Formula C30H18O8
Exact Mass 506.100168 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IH0jADmnaOz
Name 2-(1,8-dihydroxy-3-methyl-9,10-dioxo-2-anthracenyl)-1,8-dihydroxy-3-methylanthracene-9,10-dione
Alternate Name(s) 2-(1,8-dihydroxy-3-methyl-9,10-dioxo-2-anthryl)-1,8-dihydroxy-3-methyl-anthracene-9,10-dione 2-(1,8-dihydroxy-3-methyl-9,10-dioxoanthracen-2-yl)-1,8-dihydroxy-3-methylanthracene-9,10-dione 2-(1,8-dihydroxy-9,10-diketo-3-methyl-2-anthryl)-1,8-dihydroxy-3-methyl-9,10-anthraquinone 3-Methyl-2-[3-methyl-1,8-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]-1,8-bis(oxidanyl)anthracene-9,10-dione Cassiamin C
CAS Registry Number 27567-11-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H18O8
InChI InChI=1S/C30H18O8/c1-11-9-15-23(29(37)21-13(25(15)33)5-3-7-17(21)31)27(35)19(11)20-12(2)10-16-24(28(20)36)30(38)22-14(26(16)34)6-4-8-18(22)32/h3-10,31-32,35-36H,1-2H3
InChIKey VUPMYTWJSPRETC-UHFFFAOYSA-N
Molecular Weight 506.466 g/mol
SMILES Oc1c2C(c3c(c(-c4c(cc5C(c6cccc(c6C(c5c4O)=O)O)=O)C)c(cc3C(c2ccc1)=O)C)O)=O
SPLASH splash10-0a4i-0040090000-fca5179a0ebebbc451d1
Source of Spectrum KO-6-377-4
Wiley ID 1399895