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GRACILLIN
SpectraBase Compound ID 2hbhix8Wl9y
InChI InChI=1S/C45H72O17/c1-19-8-13-45(55-18-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-36(53)34(51)31(48)21(3)56-40)38(33(50)29(17-47)59-42)60-41-37(54)35(52)32(49)28(16-46)58-41/h6,19-21,23-42,46-54H,7-18H2,1-5H3/t19-,20+,21-,23+,24-,25+,26+,27+,28-,29-,30+,31-,32-,33-,34+,35+,36+,37-,38+,39-,40-,41+,42-,43+,44+,45+/m1/s1
InChIKey YQEMAEKYNNOCBY-CEWQFOEPSA-N
Mol Weight 885.1 g/mol
Molecular Formula C45H72O17
Exact Mass 884.476951 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EsOmuB4AOHS
Name GRACILLIN
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H72O17
InChI InChI=1S/C45H72O17/c1-19-8-13-45(55-18-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-36(53)34(51)31(48)21(3)56-40)38(33(50)29(17-47)59-42)60-41-37(54)35(52)32(49)28(16-46)58-41/h6,19-21,23-42,46-54H,7-18H2,1-5H3/t19-,20+,21-,23+,24-,25+,26+,27+,28-,29-,30+,31-,32-,33-,34+,35+,36+,37-,38+,39-,40-,41+,42-,43+,44+,45+/m1/s1
InChIKey YQEMAEKYNNOCBY-CEWQFOEPSA-N
Literature Reference Author T.LIN,H.L.HUANG,R.H.LIU,J.C.SHU,G.REN,F.SHAO,L.S.LIU
Literature Reference Citation MAGN.RES.CHEM.,50,813(2012)
Literature Reference DOI 10.1002/mrc.3883
Molecular Weight 885.056 g/mol
Solvent CD3OD
Source File Reference UWLU82409