| SpectraBase Compound ID | K5Wfbd044vN |
|---|---|
| InChI | InChI=1S/C43H74N2O13/c1-26(2)23-35(49)56-41-30(6)54-36(25-43(41,7)51)57-39-29(5)55-42(38(50)37(39)45(8)9)58-40-31(19-21-44-20-14-22-46)24-27(3)32(47)16-13-11-12-15-28(4)53-34(48)18-17-33(40)52-10/h11-13,16-18,26-33,36-42,44,46-47,50-51H,14-15,19-25H2,1-10H3/b12-11+,16-13+,18-17+/t27-,28-,29-,30+,31+,32+,33+,36+,37-,38-,39-,40+,41+,42+,43-/m1/s1 |
| InChIKey | QJMXJZIAUYKHTP-TWOZDVGKSA-N |
| Mol Weight | 827.1 g/mol |
| Molecular Formula | C43H74N2O13 |
| Exact Mass | 826.51909 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7CtoM80J1VG |
|---|---|
| Name | QJMXJZIAUYKHTP-TWOZDVGKSA-N |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H74N2O13 |
| InChI | InChI=1S/C43H74N2O13/c1-26(2)23-35(49)56-41-30(6)54-36(25-43(41,7)51)57-39-29(5)55-42(38(50)37(39)45(8)9)58-40-31(19-21-44-20-14-22-46)24-27(3)32(47)16-13-11-12-15-28(4)53-34(48)18-17-33(40)52-10/h11-13,16-18,26-33,36-42,44,46-47,50-51H,14-15,19-25H2,1-10H3/b12-11+,16-13+,18-17+/t27-,28-,29-,30+,31+,32+,33+,36+,37-,38-,39-,40+,41+,42+,43-/m1/s1 |
| InChIKey | QJMXJZIAUYKHTP-TWOZDVGKSA-N |
| Literature Reference Author | P.PRZYBYLSKI,K.PYTA,J.STEFANSKA,B.BRZEZINSKI,F.BARTL |
| Literature Reference Citation | MAGN.RES.CHEM.,48,286(2010) |
| Literature Reference DOI | 10.1002/mrc.2574 |
| Molecular Weight | 827.066 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWIR16528 |