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11,23-bis(Phenoxymethyl)-25,27-dihydroxy-26,28-dimethoxy-calix[4]arene
SpectraBase Compound ID GSVvjF4T48W
InChI InChI=1S/C44H40O6/c1-47-43-31-11-9-12-32(43)24-36-20-30(28-50-40-17-7-4-8-18-40)22-38(42(36)46)26-34-14-10-13-33(44(34)48-2)25-37-21-29(19-35(23-31)41(37)45)27-49-39-15-5-3-6-16-39/h3-22,45-46H,23-28H2,1-2H3
InChIKey BXSLZMMNKXMBIZ-UHFFFAOYSA-N
Mol Weight 664.8 g/mol
Molecular Formula C44H40O6
Exact Mass 664.282489 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KmDdmsbc101
Name 11,23-bis(Phenoxymethyl)-25,27-dihydroxy-26,28-dimethoxy-calix[4]arene
Alternate Name(s) 26,28-dimethoxy-11,23-bis(phenoxymethyl)pentacyclo[19.3.1.1(3,7).1(9,13).1(15,19)]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-25,27-diol
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Formula C44H40O6
InChI InChI=1S/C44H40O6/c1-47-43-31-11-9-12-32(43)24-36-20-30(28-50-40-17-7-4-8-18-40)22-38(42(36)46)26-34-14-10-13-33(44(34)48-2)25-37-21-29(19-35(23-31)41(37)45)27-49-39-15-5-3-6-16-39/h3-22,45-46H,23-28H2,1-2H3
InChIKey BXSLZMMNKXMBIZ-UHFFFAOYSA-N
Molecular Weight 664.798 g/mol
SMILES Oc1c2Cc3c(c(Cc4c(c(Cc5c(c(Cc1cc(c2)COc1ccccc1)ccc5)OC)cc(c4)COc1ccccc1)O)ccc3)OC
SPLASH splash10-0006-9000020000-012eff4dbb137c47940a
Source of Spectrum SK-25-1116-6
Wiley ID 866611