| SpectraBase Compound ID | CgSLbxnt0qy |
|---|---|
| InChI | InChI=1S/C44H76N2O13/c1-27(2)24-36(50)57-42-31(6)55-37(26-44(42,7)52)58-40-30(5)56-43(39(51)38(40)46(8)9)59-41-32(20-22-45-21-14-15-23-47)25-28(3)33(48)17-13-11-12-16-29(4)54-35(49)19-18-34(41)53-10/h11-13,17-19,27-34,37-43,45,47-48,51-52H,14-16,20-26H2,1-10H3/b12-11+,17-13+,19-18+/t28-,29-,30-,31+,32+,33+,34+,37+,38-,39-,40-,41+,42+,43+,44-/m1/s1 |
| InChIKey | HGBANERLIMTSBQ-PBGYSZFWSA-N |
| Mol Weight | 841.1 g/mol |
| Molecular Formula | C44H76N2O13 |
| Exact Mass | 840.534741 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D3HED5O4RYA |
|---|---|
| Name | HGBANERLIMTSBQ-PBGYSZFWSA-N |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H76N2O13 |
| InChI | InChI=1S/C44H76N2O13/c1-27(2)24-36(50)57-42-31(6)55-37(26-44(42,7)52)58-40-30(5)56-43(39(51)38(40)46(8)9)59-41-32(20-22-45-21-14-15-23-47)25-28(3)33(48)17-13-11-12-16-29(4)54-35(49)19-18-34(41)53-10/h11-13,17-19,27-34,37-43,45,47-48,51-52H,14-16,20-26H2,1-10H3/b12-11+,17-13+,19-18+/t28-,29-,30-,31+,32+,33+,34+,37+,38-,39-,40-,41+,42+,43+,44-/m1/s1 |
| InChIKey | HGBANERLIMTSBQ-PBGYSZFWSA-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 | 841.093 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWIR16529 |