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2-(1,8-dihydroxy-3-methyl-9,10-dioxo-2-anthracenyl)-1,6,8-trihydroxy-3-methylanthracene-9,10-dione
SpectraBase Compound ID 3aJwPC70cfv
InChI InChI=1S/C30H18O9/c1-10-6-14-23(29(38)21-13(25(14)34)4-3-5-17(21)32)27(36)19(10)20-11(2)7-15-24(28(20)37)30(39)22-16(26(15)35)8-12(31)9-18(22)33/h3-9,31-33,36-37H,1-2H3
InChIKey UECHIQHWRMWQKC-UHFFFAOYSA-N
Mol Weight 522.47 g/mol
Molecular Formula C30H18O9
Exact Mass 522.095082 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8oMrqUHXeM1
Name 2-(1,8-dihydroxy-3-methyl-9,10-dioxo-2-anthracenyl)-1,6,8-trihydroxy-3-methylanthracene-9,10-dione
CAS Registry Number 1828-75-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H18O9
InChI InChI=1S/C30H18O9/c1-10-6-14-23(29(38)21-13(25(14)34)4-3-5-17(21)32)27(36)19(10)20-11(2)7-15-24(28(20)37)30(39)22-16(26(15)35)8-12(31)9-18(22)33/h3-9,31-33,36-37H,1-2H3
InChIKey UECHIQHWRMWQKC-UHFFFAOYSA-N
Molecular Weight 522.465 g/mol
SMILES Oc1c2C(c3c(c(-c4c(c5c(cc4C)C(c4cc(cc(c4C5=O)O)O)=O)O)c(cc3C(c2ccc1)=O)C)O)=O
SPLASH splash10-00di-0070090000-ce34681fffe3016dea5c
Source of Spectrum KO-6-377-4
Synonyms 2-(1,8-dihydroxy-3-methyl-9,10-dioxo-2-anthryl)-1,6,8-trihydroxy-3-methyl-anthracene-9,10-dione 2-(1,8-dihydroxy-3-methyl-9,10-dioxoanthracen-2-yl)-1,6,8-trihydroxy-3-methylanthracene-9,10-dione 2-(1,8-dihydroxy-9,10-diketo-3-methyl-2-anthryl)-1,6,8-trihydroxy-3-methyl-9,10-anthraquinone 3-Methyl-2-[3-methyl-1,8-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]-1,6,8-tris(oxidanyl)anthracene-9,10-dione Cassiamin A
Wiley ID 1402283