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(1S,3S)-(+)-Austrocortirubin
SpectraBase Compound ID BGKEBYkkbvk
InChI InChI=1S/C16H16O7/c1-16(22)4-6-10(8(18)5-16)15(21)11-7(17)3-9(23-2)14(20)12(11)13(6)19/h3,8,18-19,21-22H,4-5H2,1-2H3
InChIKey WWTHHBSODPGTAK-UHFFFAOYSA-N
Mol Weight 320.3 g/mol
Molecular Formula C16H16O7
Exact Mass 320.089603 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AbNuVTyNZTn
Name 2-Methoxy-7-methyl-5,7,9,10-tetrakis(oxidanyl)-6,8-dihydro-5H-anthracene-1,4-dione
Alternate Name(s) 5,7,9,10-tetrahydroxy-2-methoxy-7-methyl-5,6,7,8-tetrahydro-1,4-anthracenedione 5,7,9,10-tetrahydroxy-2-methoxy-7-methyl-6,8-dihydro-5H-anthracene-1,4-dione 5,7,9,10-tetrahydroxy-2-methoxy-7-methyl-6,8-dihydro-5H-anthracene-1,4-quinone
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Formula C16H16O7
InChI InChI=1S/C16H16O7/c1-16(22)4-6-10(8(18)5-16)15(21)11-7(17)3-9(23-2)14(20)12(11)13(6)19/h3,8,18-19,21-22H,4-5H2,1-2H3
InChIKey WWTHHBSODPGTAK-UHFFFAOYSA-N
Molecular Weight 320.297 g/mol
SMILES Oc1c2c(c(c3c1C(C(=CC3=O)OC)=O)O)C(CC(C2)(O)C)O
SPLASH splash10-001i-2092000000-5391fcf0762ae167345e
Source of Spectrum B-44-1457-1
Wiley ID 1319924