John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=AkXTO2O0sli SpectraBase Spectrum ID=1j1yjqJyQqO

(accessed ).
XPQXLJRTENHINH-HDMITGENSA-N
SpectraBase Compound ID AkXTO2O0sli
InChI InChI=1S/C43H78O17/c1-21-13-14-29(47)17-30(48)15-28(46)10-8-12-36(53)58-40-24(4)39(23(3)37(54)22(2)26(6)44)59-41(25(40)5)38(55)33(50)11-7-9-27(45)16-31(49)18-32-19-34(51)42(56)43(57,60-32)20-35(21)52/h8,12,21-35,37-42,44-52,54-57H,7,9-11,13-20H2,1-6H3/b12-8+/t21-,22-,23+,24-,25+,26-,27+,28-,29-,30-,31-,32+,33-,34-,35-,37-,38-,39-,40+,41+,42+,43-/m0/s1
InChIKey XPQXLJRTENHINH-HDMITGENSA-N
Mol Weight 867.1 g/mol
Molecular Formula C43H78O17
Exact Mass 866.523902 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1j1yjqJyQqO
Name XPQXLJRTENHINH-HDMITGENSA-N
Compound Number 3
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C43H78O17
InChI InChI=1S/C43H78O17/c1-21-13-14-29(47)17-30(48)15-28(46)10-8-12-36(53)58-40-24(4)39(23(3)37(54)22(2)26(6)44)59-41(25(40)5)38(55)33(50)11-7-9-27(45)16-31(49)18-32-19-34(51)42(56)43(57,60-32)20-35(21)52/h8,12,21-35,37-42,44-52,54-57H,7,9-11,13-20H2,1-6H3/b12-8+/t21-,22-,23+,24-,25+,26-,27+,28-,29-,30-,31-,32+,33-,34-,35-,37-,38-,39-,40+,41+,42+,43-/m0/s1
InChIKey XPQXLJRTENHINH-HDMITGENSA-N
Literature Reference Author K.KOMATSU,M.TSUDA,Y.TANAKA,Y.MIKAMI,J.KOBAYASHI
Literature Reference Citation J.ORG.CHEM.,69,1535(2004)
Literature Reference DOI 10.1021/jo035773v
Molecular Weight 867.082 g/mol
Solvent CD3OD
Source File Reference UWVN21887
SpectraBase Batch ID 2ATMLzxl8u2