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1,1',3,3',8,8'-hexahydroxy-2,2'-diisopropyl-6,6'-dimethoxy-10,10'bianthrone
SpectraBase Compound ID 65KZ6dZOSoB
InChI InChI=1S/C36H34O10/c1-13(2)25-23(39)11-19-27(17-7-15(45-5)9-21(37)29(17)35(43)31(19)33(25)41)28-18-8-16(46-6)10-22(38)30(18)36(44)32-20(28)12-24(40)26(14(3)4)34(32)42/h7-14,27-28,37-42H,1-6H3
InChIKey NLQBHMFTEOFFAV-UHFFFAOYSA-N
Mol Weight 626.7 g/mol
Molecular Formula C36H34O10
Exact Mass 626.215197 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1KpiP79MCMx
Name 1,1',3,3',8,8'-hexahydroxy-2,2'-diisopropyl-6,6'-dimethoxy-10,10'bianthrone
Alternate Name(s) 1,1',6,6',8,8'-Hexahydroxy-2,2'-diisopropyl-6,6'-dimethoxy-10,10'-bianthrone 1,3,8-trihydroxy-6-methoxy-2-(propan-2-yl)-10-[2,4,5-trihydroxy-7-methoxy-10-oxo-3-(propan-2-yl)-9,10-dihydroanthracen-9-yl]-9,10-dihydroanthracen-9-one
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Formula C36H34O10
InChI InChI=1S/C36H34O10/c1-13(2)25-23(39)11-19-27(17-7-15(45-5)9-21(37)29(17)35(43)31(19)33(25)41)28-18-8-16(46-6)10-22(38)30(18)36(44)32-20(28)12-24(40)26(14(3)4)34(32)42/h7-14,27-28,37-42H,1-6H3
InChIKey NLQBHMFTEOFFAV-UHFFFAOYSA-N
Molecular Weight 626.658 g/mol
SMILES Oc1c2c(C(C3c4cc(cc(c4C(c4c(c(c(cc34)O)C(C)C)O)=O)O)OC)c3c(C2=O)c(cc(c3)OC)O)cc(c1C(C)C)O
SPLASH splash10-03dj-0097000000-eb4190746f59b8980354
Source of Spectrum JA-50-409-0
Wiley ID 1411888