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(R,R)-1(2),1(4),11(2),11(4)-Tetrahydroxy-6-(5,5-dimethyl-1,3-dioxan-2-yl)-12,14,15,17-tetramethyl-3,9-bis(1-phenylethyl)-13(4),13(6),16(4),16(6)-tetra(p-tolylsulfonyloxy)-3,9-diaza-1,11(1,3,5),13.16(1,3)-tetrabenzenabicyclo[9.3.3]heptadecaphane

View entire compound with spectra: 1 MS (GC)

(R,R)-1(2),1(4),11(2),11(4)-Tetrahydroxy-6-(5,5-dimethyl-1,3-dioxan-2-yl)-12,14,15,17-tetramethyl-3,9-bis(1-phenylethyl)-13(4),13(6),16(4),16(6)-tetra(p-tolylsulfonyloxy)-3,9-diaza-1,11(1,3,5),13.16(1,3)-tetrabenzenabicyclo[9.3.3]heptadecaphane
SpectraBase Compound ID 1KKanCQhJrQ
InChI InChI=1S/C88H94N2O18S4/c1-53-23-31-65(32-24-53)109(95,96)105-79-47-80(106-110(97,98)66-33-25-54(2)26-34-66)70-43-69(79)57(5)73-45-74-59(7)71-44-72(82(108-112(101,102)68-37-29-56(4)30-38-68)48-81(71)107-111(99,100)67-35-27-55(3)28-36-67)60(8)76-46-75(58(70)6)85(93)78(86(76)94)50-90(62(10)64-21-17-14-18-22-64)42-40-88(103-51-87(11,12)52-104-88)39-41-89(49-77(83(73)91)84(74)92)61(9)63-19-15-13-16-20-63/h13-38,43-48,57-62,91-94H,39-42,49-52H2,1-12H3/t57?,58?,59?,60?,61-,62-/m1/s1
InChIKey VZVRZDVDKPXLFR-XLPDSBSDSA-N
Mol Weight 1596.0 g/mol
Molecular Formula C88H94N2O18S4
Exact Mass 1594.538449 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CJNJh9gVvsv
Name (R,R)-1(2),1(4),11(2),11(4)-Tetrahydroxy-6-(5,5-dimethyl-1,3-dioxan-2-yl)-12,14,15,17-tetramethyl-3,9-bis(1-phenylethyl)-13(4),13(6),16(4),16(6)-tetra(p-tolylsulfonyloxy)-3,9-diaza-1,11(1,3,5),13.16(1,3)-tetrabenzenabicyclo[9.3.3]heptadecaphane
Alternate Name(s) (R,R)-1(2),1(4),11(2),11(4)-Tetrahydroxy-6-(5,5-dimethyl-1,3-dioxan-2-yl)-12,14,15,17-tetramethyl-3,9-bis(1-phenylethyl)-13(4),13(6),16(4),16(6)-tetra(p-tolylsulfonyloxy)-3,9-diaza-1,11(1,3,5),13,16(1,3)-tetrabenzenabicyclo[9.3.3]heptadecaphane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C88H94N2O18S4
InChI InChI=1S/C88H94N2O18S4/c1-53-23-31-65(32-24-53)109(95,96)105-79-47-80(106-110(97,98)66-33-25-54(2)26-34-66)70-43-69(79)57(5)73-45-74-59(7)71-44-72(82(108-112(101,102)68-37-29-56(4)30-38-68)48-81(71)107-111(99,100)67-35-27-55(3)28-36-67)60(8)76-46-75(58(70)6)85(93)78(86(76)94)50-90(62(10)64-21-17-14-18-22-64)42-40-88(103-51-87(11,12)52-104-88)39-41-89(49-77(83(73)91)84(74)92)61(9)63-19-15-13-16-20-63/h13-38,43-48,57-62,91-94H,39-42,49-52H2,1-12H3/t57?,58?,59?,60?,61-,62-/m1/s1
InChIKey VZVRZDVDKPXLFR-XLPDSBSDSA-N
Molecular Weight 1595.956 g/mol
SMILES Oc1c2C(c3c(cc(c(C(c4c(c5CN(CCC6(CCN(Cc1c(c(C(c1c(cc(c(C(c(c5O)c4)C)c1)OS(c1ccc(cc1)C)(=O)=O)OS(c1ccc(cc1)C)(=O)=O)C)c2)O)[C@@](c1ccccc1)(C)[H])OCC(CO6)(C)C)[C@@](c1ccccc1)(C)[H])O)C)c3)OS(c1ccc(cc1)C)(=O)=O)OS(c1ccc(cc1)C)(=O)=O)C
SPLASH splash10-0a89-0910100000-644849ccd94a5b240680
Source of Spectrum K1-2004-5133-16
Wiley ID 1562041