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R-2,C-8,C-14,T-20-TETRA-(CARBISOPROPOXYMETHYL)-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-4,6,10,12,16,
SpectraBase Compound ID AVjcHpBFNrJ
InChI InChI=1S/C56H72O16/c1-29(2)69-53(57)21-33-37-17-39(47(63-11)25-45(37)61-9)34(22-54(58)70-30(3)4)41-19-43(51(67-15)27-49(41)65-13)36(24-56(60)72-32(7)8)44-20-42(50(66-14)28-52(44)68-16)35(23-55(59)71-31(5)6)40-18-38(33)46(62-10)26-48(40)64-12/h17-20,25-36H,21-24H2,1-16H3/t33-,34-,35-,36+
InChIKey BJYUREBBCVCVLK-WWGVPXKCSA-N
Mol Weight 1001.2 g/mol
Molecular Formula C56H72O16
Exact Mass 1000.482036 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5Zel3o3Ahsl
Name R-2,C-8,T-14,T-20-TETRA-(CARBISOPROPOXYMETHYL)-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-4,6,10,12,16,
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C56H72O16
InChI InChI=1S/C56H72O16/c1-29(2)69-53(57)21-33-37-17-39(47(63-11)25-45(37)61-9)34(22-54(58)70-30(3)4)41-19-43(51(67-15)27-49(41)65-13)36(24-56(60)72-32(7)8)44-20-42(50(66-14)28-52(44)68-16)35(23-55(59)71-31(5)6)40-18-38(33)46(62-10)26-48(40)64-12/h17-20,25-36H,21-24H2,1-16H3/t33-,34-,35-,36+
InChIKey BJYUREBBCVCVLK-WWGVPXKCSA-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 1001.178 g/mol
Solvent Unknown
Source File Reference UWCP4995