| SpectraBase Compound ID | G1V6GaXn2QP |
|---|---|
| InChI | InChI=1S/C48H65N7O9/c1-27(2)38-43(59)53-39(28(3)4)44(60)54-40(31(7)64-47(8,9)10)45(61)51-35(41(57)50-29(5)46(62)63-30(6)37(49)42(58)52-38)26-36(56)55-48(32-20-14-11-15-21-32,33-22-16-12-17-23-33)34-24-18-13-19-25-34/h11-25,27-31,35,37-40H,26,49H2,1-10H3,(H,50,57)(H,51,61)(H,52,58)(H,53,59)(H,54,60)(H,55,56)/t29-,30-,31+,35+,37+,38+,39-,40+/m0/s1 |
| InChIKey | YXVNWBWMLPVVOD-OAQAENIWSA-N |
| Mol Weight | 884.1 g/mol |
| Molecular Formula | C48H65N7O9 |
| Exact Mass | 883.484377 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ErvGgPUPlVU |
|---|---|
| Name | YXVNWBWMLPVVOD-OAQAENIWSA-N |
| Compound Number | 17 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H65N7O9 |
| InChI | InChI=1S/C48H65N7O9/c1-27(2)38-43(59)53-39(28(3)4)44(60)54-40(31(7)64-47(8,9)10)45(61)51-35(41(57)50-29(5)46(62)63-30(6)37(49)42(58)52-38)26-36(56)55-48(32-20-14-11-15-21-32,33-22-16-12-17-23-33)34-24-18-13-19-25-34/h11-25,27-31,35,37-40H,26,49H2,1-10H3,(H,50,57)(H,51,61)(H,52,58)(H,53,59)(H,54,60)(H,55,56)/t29-,30-,31+,35+,37+,38+,39-,40+/m0/s1 |
| InChIKey | YXVNWBWMLPVVOD-OAQAENIWSA-N |
| Literature Reference Author | J.R.COCHRANE,D.H.YOON,C.S.P.MCERLEAN,K.A.JOLLIFFE |
| Literature Reference Citation | BEIL.J.ORG.CHEM.,8,1344(2012) |
| Literature Reference DOI | 10.3762/bjoc.8.154 |
| Molecular Weight | 884.086 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWIR11046 |