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acetic acid [(9S,10R,11S,12R)-9,10-diacetoxy-12-[[6-allyloxy-9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-[2-cyanoethoxy-(diisopropylamino)phosphanyl]oxy-tetrahydrofuran-2-yl]purin-2-yl]amino]-9,10,11,12-tetrahydrobenzo[c]phenanthren-11-yl] ester
SpectraBase Compound ID 19p5VNiEcYu
InChI InChI=1S/C67H72N7O13P/c1-11-35-80-65-60-64(71-66(72-65)70-59-58-53(33-24-46-23-22-45-18-15-16-21-52(45)57(46)58)61(83-42(6)75)63(85-44(8)77)62(59)84-43(7)76)73(39-69-60)56-37-54(87-88(82-36-17-34-68)74(40(2)3)41(4)5)55(86-56)38-81-67(47-19-13-12-14-20-47,48-25-29-50(78-9)30-26-48)49-27-31-51(79-10)32-28-49/h11-16,18-33,39-41,54-56,59,61-63H,1,17,35-38H2,2-10H3,(H,70,71,72)/t54-,55+,56+,59+,61-,62-,63+,88?/m0/s1
InChIKey KICGQCJFAFWZPB-GPWBIBHUSA-N
Mol Weight 1214.3 g/mol
Molecular Formula C67H72N7O13P
Exact Mass 1213.492572 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K5bSvk1Kmfn
Name acetic acid [(9S,10R,11S,12R)-9,10-diacetoxy-12-[[6-allyloxy-9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-[2-cyanoethoxy-(diisopropylamino)phosphanyl]oxy-tetrahydrofuran-2-yl]purin-2-yl]amino]-9,10,11,12-tetrahydrobenzo[c]phenanthren-11-yl] ester
Compound Number 24A-(1S)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C67H72N7O13P
InChI InChI=1S/C67H72N7O13P/c1-11-35-80-65-60-64(71-66(72-65)70-59-58-53(33-24-46-23-22-45-18-15-16-21-52(45)57(46)58)61(83-42(6)75)63(85-44(8)77)62(59)84-43(7)76)73(39-69-60)56-37-54(87-88(82-36-17-34-68)74(40(2)3)41(4)5)55(86-56)38-81-67(47-19-13-12-14-20-47,48-25-29-50(78-9)30-26-48)49-27-31-51(79-10)32-28-49/h11-16,18-33,39-41,54-56,59,61-63H,1,17,35-38H2,2-10H3,(H,70,71,72)/t54-,55+,56+,59+,61-,62-,63+,88?/m0/s1
InChIKey KICGQCJFAFWZPB-GPWBIBHUSA-N
Literature Reference Author H.YAGI,A.R.RAMESHA,G.KALENA,G.KALENA,J.M.SAYER,S.KUMAR,D.M.J ERINA
Literature Reference Citation J.ORG.CHEM.,67,6678(2002)
Literature Reference DOI 10.1021/jo020418a
Solvent CD3CN
Source File Reference UWMS25000