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CHEBI:145987 - julichrome Q6-6

ChEBI IDCHEBI:145987
ChEBI Namejulichrome Q6-6
Stars
ASCII Namejulichrome Q6-6
DefinitionA member of the class of bianthracenes resulting from the 7,7'-oxidative dimerisation of julichrome Q6. The major species at pH 7.3
Last Modified7 February 2020
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC38H38O12
Net Charge0
Average Mass686.710
Monoisotopic Mass686.23633
SMILES[H][C@@]1([C@@H](C)OC(C)=O)c2cc3ccc(-c4ccc5cc6c(c(O)c5c4O)C(=O)C[C@](C)(O)[C@]6([H])[C@@H](C)OC(C)=O)c(O)c3c(O)c2C(=O)C[C@]1(C)O
InChIInChI=1S/C38H38O12/c1-15(49-17(3)39)31-23-11-19-7-9-21(33(43)27(19)35(45)29(23)25(41)13-37(31,5)47)22-10-8-20-12-24-30(36(46)28(20)34(22)44)26(42)14-38(6,48)32(24)16(2)50-18(4)40/h7-12,15-16,31-32,43-48H,13-14H2,1-6H3/t15-,16-,31-,32-,37+,38+/m1/s1
InChIKeyUYEWMDUNNUBCMC-WJUADSEPSA-N
ChEBI Ontology
Outgoing Relation(s)
julichrome Q6-6 (CHEBI:145987) has functional parent julichrome Q6 (CHEBI:145986)
julichrome Q6-6 (CHEBI:145987) is a acetate ester (CHEBI:47622)
julichrome Q6-6 (CHEBI:145987) is a bianthracenes (CHEBI:145988)
julichrome Q6-6 (CHEBI:145987) is a cyclic ketone (CHEBI:3992)
julichrome Q6-6 (CHEBI:145987) is a polyketide (CHEBI:26188)
julichrome Q6-6 (CHEBI:145987) is a tertiary alcohol (CHEBI:26878)
julichrome Q6-6 (CHEBI:145987) is conjugate acid of julichrome Q6-6(1−) (CHEBI:146003)
Incoming Relation(s)
julichrome Q6-6(1−) (CHEBI:146003) is conjugate base of julichrome Q6-6 (CHEBI:145987)
IUPAC Name 
[(5S,5'S,6S,6'S)-1,1',6,6',9,9'-hexahydroxy-6,6'-dimethyl-8,8'-dioxo-5,5',6,6',7,7',8,8'-octahydro[2,2'-bianthracene]-5,5'-diyl]di(1R)ethane-1,1-diyl diacetate
Synonym  Source
julichrome Q6.6ChEBI
Citations