| 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 | 778.450342 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1IF3N6IYT66 |
|---|---|
| Name | CELOSIN_C |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 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 |