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R-2,C-8,T-14,T-20-TETRA-(HYDROXYETHYL)-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-4,6,10,12,16,18,22,24
SpectraBase Compound ID 1P0KzJmdTcU
InChI InChI=1S/C44H56O12/c1-49-37-21-38(50-2)30-17-29(37)25(9-13-45)31-18-32(40(52-4)22-39(31)51-3)27(11-15-47)35-20-36(44(56-8)24-43(35)55-7)28(12-16-48)34-19-33(26(30)10-14-46)41(53-5)23-42(34)54-6/h17-28,45-48H,9-16H2,1-8H3/t25-,26-,27-,28+
InChIKey OAZXNHRUKSGULZ-SZNOVALISA-N
Mol Weight 776.9 g/mol
Molecular Formula C44H56O12
Exact Mass 776.377177 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J311lcrogHH
Name R-2,C-8,T-14,T-20-TETRA-(HYDROXYETHYL)-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-4,6,10,12,16,18,22,24
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H56O12
InChI InChI=1S/C44H56O12/c1-49-37-21-38(50-2)30-17-29(37)25(9-13-45)31-18-32(40(52-4)22-39(31)51-3)27(11-15-47)35-20-36(44(56-8)24-43(35)55-7)28(12-16-48)34-19-33(26(30)10-14-46)41(53-5)23-42(34)54-6/h17-28,45-48H,9-16H2,1-8H3/t25-,26-,27-,28+
InChIKey OAZXNHRUKSGULZ-SZNOVALISA-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 776.921 g/mol
Solvent Unknown
Source File Reference UWCP4997