John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=1KMgVTe02ID SpectraBase Spectrum ID=1IF3N6IYT66

(accessed ).
CELOSIN_C
SpectraBase Compound ID 1KMgVTe02ID
InChI InChI=1S/C42H66O13/c1-20-27(44)29(46)31(48)33(52-20)54-32-30(47)28(45)21(2)53-34(32)55-36(51)42-17-15-37(3,4)19-23(42)22-9-10-24-38(5)13-12-26(43)41(8,35(49)50)25(38)11-14-40(24,7)39(22,6)16-18-42/h9,20-21,23-34,43-48H,10-19H2,1-8H3,(H,49,50)/t20-,21+,23-,24+,25+,26-,27-,28-,29+,30-,31+,32+,33-,34-,38+,39+,40+,41-,42-/m0/s1
InChIKey NZGKXMFXAUOPFU-VZFYPAJYSA-N
Mol Weight 779.0 g/mol
Molecular Formula C42H66O13
Exact Mass 778.450343 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1IF3N6IYT66
Name CELOSIN_C
Compound Number 4
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H66O13
InChI InChI=1S/C42H66O13/c1-20-27(44)29(46)31(48)33(52-20)54-32-30(47)28(45)21(2)53-34(32)55-36(51)42-17-15-37(3,4)19-23(42)22-9-10-24-38(5)13-12-26(43)41(8,35(49)50)25(38)11-14-40(24,7)39(22,6)16-18-42/h9,20-21,23-34,43-48H,10-19H2,1-8H3,(H,49,50)/t20-,21+,23-,24+,25+,26-,27-,28-,29+,30-,31+,32+,33-,34-,38+,39+,40+,41-,42-/m0/s1
InChIKey NZGKXMFXAUOPFU-VZFYPAJYSA-N
Literature Reference Author Y.WANG,Z.LOU,Q.B.WU,M.L.GUO
Literature Reference Citation FITOTERAPIA,81,1246(2010)
Literature Reference DOI 10.1016/j.fitote.2010.08.011
Molecular Weight 778.978 g/mol
Solvent C5D5N
Source File Reference UWMB1194
SpectraBase Batch ID 7ghceDm8FoI