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#2B;R-2,C-8,T-14,T-20-TETRA-(CARBOMETHOXYMETHYL)-PENTACYClO-[19.3.1.1^3,7.1^15,19]-OCTACOSA-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-DODECAEN-4,6,10,12,1
SpectraBase Compound ID 6sGgwaScvj
InChI InChI=1S/C48H56O16/c1-53-37-21-38(54-2)30-13-29(37)25(17-45(49)61-9)31-14-32(40(56-4)22-39(31)55-3)27(19-47(51)63-11)35-16-36(44(60-8)24-43(35)59-7)28(20-48(52)64-12)34-15-33(26(30)18-46(50)62-10)41(57-5)23-42(34)58-6/h13-16,21-28H,17-20H2,1-12H3/t25-,26-,27-,28-
InChIKey ZIDXCQXCUNJMOS-PCYFZWJMSA-N
Mol Weight 889.0 g/mol
Molecular Formula C48H56O16
Exact Mass 888.356836 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6m94nuO1bLi
Name #2B;R-2,C-8,T-14,T-20-TETRA-(CARBOMETHOXYMETHYL)-PENTACYClO-[19.3.1.1^3,7.1^15,19]-OCTACOSA-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-DODECAEN-4,6,10,12,1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H56O16
InChI InChI=1S/C48H56O16/c1-53-37-21-38(54-2)30-13-29(37)25(17-45(49)61-9)31-14-32(40(56-4)22-39(31)55-3)27(19-47(51)63-11)35-16-36(44(60-8)24-43(35)59-7)28(20-48(52)64-12)34-15-33(26(30)18-46(50)62-10)41(57-5)23-42(34)58-6/h13-16,21-28H,17-20H2,1-12H3/t25-,26-,27-,28-
InChIKey ZIDXCQXCUNJMOS-PCYFZWJMSA-N
Literature Reference Author B.BOTTA,M.C.DIGIOVANNI,G.DELLEMONACHE,M.C.DEROSA,E.GACS-BAIT Z,M.BOTTA,F.CORELLI,
Literature Reference Citation J.ORG.CHEM.,59,1532(1994)
Literature Reference DOI 10.1021/jo00085a047
Molecular Weight 888.963 g/mol
Solvent Unknown
Source File Reference UWCP4989