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2,23-Dioxo-12,13,33,34-tetramethoxyheptacyclo[36.4.0.0(3,8).0(10,15).0(17,22).0(24,29).0(31,36)]dotetraconta-1(38),3(8),4,6,10(15),11,13,17(22),18,20,24(29),25,27,31(36),32,34,39,41-octadecaene, Tetramethoxy[1(6)]OCP-1,4-dione
SpectraBase Compound ID 36jU9ZITmic
InChI InChI=1S/C46H40O6/c1-49-41-25-33-21-29-13-5-9-17-37(29)45(47)39-19-11-7-15-31(39)23-35-27-43(51-3)44(52-4)28-36(35)24-32-16-8-12-20-40(32)46(48)38-18-10-6-14-30(38)22-34(33)26-42(41)50-2/h5-20,25-28H,21-24H2,1-4H3
InChIKey HJAOPBIMMLDPKC-UHFFFAOYSA-N
Mol Weight 688.8 g/mol
Molecular Formula C46H40O6
Exact Mass 688.282489 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 48eg1vlonDM
Name 2,23-Dioxo-12,13,33,34-tetramethoxyheptacyclo[36.4.0.0(3,8).0(10,15).0(17,22).0(24,29).0(31,36)]dotetraconta-1(38),3(8),4,6,10(15),11,13,17(22),18,20,24(29),25,27,31(36),32,34,39,41-octadecaene, Tetramethoxy[1(6)]OCP-1,4-dione
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Formula C46H40O6
InChI InChI=1S/C46H40O6/c1-49-41-25-33-21-29-13-5-9-17-37(29)45(47)39-19-11-7-15-31(39)23-35-27-43(51-3)44(52-4)28-36(35)24-32-16-8-12-20-40(32)46(48)38-18-10-6-14-30(38)22-34(33)26-42(41)50-2/h5-20,25-28H,21-24H2,1-4H3
InChIKey HJAOPBIMMLDPKC-UHFFFAOYSA-N
Molecular Weight 688.820 g/mol
SMILES C1(c2c(Cc3c(Cc4c(cccc4)C(c4c(Cc5c(Cc6c1cccc6)cc(c(OC)c5)OC)cccc4)=O)cc(c(c3)OC)OC)cccc2)=O
SPLASH splash10-000i-0002009000-d54ceb43d13bca66e173
Source of Spectrum J-59-4499-17
Synonyms 12,13,27,28-tetramethoxy-10,15,25,30-tetrahydrohexabenzo[a,d,g,j,m,p]cyclooctadecene-5,20-dione
Wiley ID 1414630