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5,11,17,23-Tetra-tert-butyl-25-hydroxy-26,27,28-tris(methoxycarbonylmethyloxy)calix[4]arene
SpectraBase Compound ID 4G7qSCnyQ7E
InChI InChI=1S/C53H68O10/c1-50(2,3)39-20-31-16-33-22-40(51(4,5)6)24-35(47(33)61-28-43(54)58-13)18-37-26-42(53(10,11)12)27-38(49(37)63-30-45(56)60-15)19-36-25-41(52(7,8)9)23-34(17-32(21-39)46(31)57)48(36)62-29-44(55)59-14/h20-27,57H,16-19,28-30H2,1-15H3
InChIKey ZGYNWDYYFLZVBC-UHFFFAOYSA-N
Mol Weight 865.1 g/mol
Molecular Formula C53H68O10
Exact Mass 864.481248 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EegaEpxcvAJ
Name 5,11,17,23-Tetra-tert-butyl-25-hydroxy-26,27,28-tris(methoxycarbonylmethyloxy)calix[4]arene
Alternate Name(s) Methyl 2-{[5,11,17,23-tetra-tert-butyl-27-hydroxy-26,28-bis(2-methoxy-2-oxoethoxy)pentacyclo[19.3.1.1(3,7).1(9,13).1(15,19)]octacosa-1(25),3,5,7(28),9,11,13(27),15(26),16,18,21,23-dodecaen-25-yl]oxy}acetate
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Formula C53H68O10
InChI InChI=1S/C53H68O10/c1-50(2,3)39-20-31-16-33-22-40(51(4,5)6)24-35(47(33)61-28-43(54)58-13)18-37-26-42(53(10,11)12)27-38(49(37)63-30-45(56)60-15)19-36-25-41(52(7,8)9)23-34(17-32(21-39)46(31)57)48(36)62-29-44(55)59-14/h20-27,57H,16-19,28-30H2,1-15H3
InChIKey ZGYNWDYYFLZVBC-UHFFFAOYSA-N
Molecular Weight 865.117 g/mol
SMILES Oc1c2Cc3c(c(Cc4c(c(Cc5c(c(Cc1cc(c2)C(C)(C)C)cc(c5)C(C)(C)C)OCC(=O)OC)cc(c4)C(C)(C)C)OCC(=O)OC)cc(c3)C(C)(C)C)OCC(=O)OC
SPLASH splash10-03xr-0000000090-b87d1eda3d965487a777
Source of Spectrum O1-36-1323-2
Wiley ID 819924