| SpectraBase Compound ID | 73wwEGy9IWe |
|---|---|
| InChI | InChI=1S/C42H72N2O13/c1-25(2)22-34(48)55-40-29(6)53-35(24-42(40,7)50)56-38-28(5)54-41(37(49)36(38)44(8)9)57-39-30(18-19-43-20-21-45)23-26(3)31(46)15-13-11-12-14-27(4)52-33(47)17-16-32(39)51-10/h11-13,15-17,25-32,35-41,43,45-46,49-50H,14,18-24H2,1-10H3/b12-11+,15-13+,17-16+/t26-,27-,28-,29+,30+,31+,32+,35+,36-,37-,38-,39+,40+,41+,42-/m1/s1 |
| InChIKey | AXKPWAIOAMONHI-BJDRWMGGSA-N |
| Mol Weight | 813.0 g/mol |
| Molecular Formula | C42H72N2O13 |
| Exact Mass | 812.50344 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8P9Pqdze0L7 |
|---|---|
| Name | AXKPWAIOAMONHI-BJDRWMGGSA-N |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H72N2O13 |
| InChI | InChI=1S/C42H72N2O13/c1-25(2)22-34(48)55-40-29(6)53-35(24-42(40,7)50)56-38-28(5)54-41(37(49)36(38)44(8)9)57-39-30(18-19-43-20-21-45)23-26(3)31(46)15-13-11-12-14-27(4)52-33(47)17-16-32(39)51-10/h11-13,15-17,25-32,35-41,43,45-46,49-50H,14,18-24H2,1-10H3/b12-11+,15-13+,17-16+/t26-,27-,28-,29+,30+,31+,32+,35+,36-,37-,38-,39+,40+,41+,42-/m1/s1 |
| InChIKey | AXKPWAIOAMONHI-BJDRWMGGSA-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 | 813.039 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWIR16527 |