John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=HM47RuftASR SpectraBase Spectrum ID=10jAHfNh7ln

(accessed ).
Ll-bm-782.alpha.-1A
SpectraBase Compound ID HM47RuftASR
InChI InChI=1S/C45H87N15O17/c46-11-1-6-22(47)16-28(62)56-12-2-7-23(48)17-29(63)57-13-3-8-24(49)18-30(64)58-14-4-9-25(50)19-31(65)59-15-5-10-26(51)20-32(66)74-40-39(76-44(54)71)37(70)36(69)38(41(40)77-45(55)72)75-42-35(68)33(60-43(52)53)34(67)27(21-61)73-42/h22-27,33-42,61,67-70H,1-21,46-51H2,(H2,54,71)(H2,55,72)(H,56,62)(H,57,63)(H,58,64)(H,59,65)(H4,52,53,60)/t22?,23?,24?,25?,26?,27-,33+,34-,35+,36-,37-,38+,39+,40+,41-,42-/m1/s1
InChIKey ZQANLBKWPHEWEI-ZXAFEJJHSA-N
Mol Weight 1110.3 g/mol
Molecular Formula C45H87N15O17
Exact Mass 1109.640437 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 10jAHfNh7ln
Name LL-BM-782-ALPHA-1A
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H87N15O17
InChI InChI=1S/C45H87N15O17/c46-11-1-6-22(47)16-28(62)56-12-2-7-23(48)17-29(63)57-13-3-8-24(49)18-30(64)58-14-4-9-25(50)19-31(65)59-15-5-10-26(51)20-32(66)74-40-39(76-44(54)71)37(70)36(69)38(41(40)77-45(55)72)75-42-35(68)33(60-43(52)53)34(67)27(21-61)73-42/h22-27,33-42,61,67-70H,1-21,46-51H2,(H2,54,71)(H2,55,72)(H,56,62)(H,57,63)(H,58,64)(H,59,65)(H4,52,53,60)/t22?,23?,24?,25?,26?,27-,33+,34-,35+,36-,37-,38+,39+,40+,41-,42-/m1/s1
InChIKey ZQANLBKWPHEWEI-ZXAFEJJHSA-N
Literature Reference Author W.MCGAHREN,B.HARDY,G.MORTON,F.LOVELL,N.PERKINSON,R.HARGREAVE S,D.BORDERS
Literature Reference Citation J.ORG.CHEM.,46,792(1981)
Literature Reference DOI 10.1021/jo00317a029
Molecular Weight 1110.276 g/mol
Solvent D2O
Source File Reference UNIW20200
SpectraBase Batch ID GrYOzvhTkao