| SpectraBase Compound ID | 7sj2V0MxvRW |
|---|---|
| InChI | InChI=1S/C39H75N13O16/c40-9-1-5-18(41)13-23(54)49-10-2-6-19(42)14-24(55)50-11-3-7-20(43)15-25(56)51-12-4-8-21(44)16-26(57)65-34-33(67-38(47)62)31(61)30(60)32(35(34)68-39(48)63)66-36-29(59)27(52-37(45)46)28(58)22(17-53)64-36/h18-22,27-36,53,58-61H,1-17,40-44H2,(H2,47,62)(H2,48,63)(H,49,54)(H,50,55)(H,51,56)(H4,45,46,52)/t18?,19?,20?,21?,22-,27+,28-,29+,30-,31-,32+,33+,34+,35-,36-/m1/s1 |
| InChIKey | PAILKTWJNWRACD-HETGENTJSA-N |
| Mol Weight | 982.1 g/mol |
| Molecular Formula | C39H75N13O16 |
| Exact Mass | 981.545473 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DuNcMo1T6z7 |
|---|---|
| Name | LL-BM-782-ALPHA-1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H75N13O16 |
| InChI | InChI=1S/C39H75N13O16/c40-9-1-5-18(41)13-23(54)49-10-2-6-19(42)14-24(55)50-11-3-7-20(43)15-25(56)51-12-4-8-21(44)16-26(57)65-34-33(67-38(47)62)31(61)30(60)32(35(34)68-39(48)63)66-36-29(59)27(52-37(45)46)28(58)22(17-53)64-36/h18-22,27-36,53,58-61H,1-17,40-44H2,(H2,47,62)(H2,48,63)(H,49,54)(H,50,55)(H,51,56)(H4,45,46,52)/t18?,19?,20?,21?,22-,27+,28-,29+,30-,31-,32+,33+,34+,35-,36-/m1/s1 |
| InChIKey | PAILKTWJNWRACD-HETGENTJSA-N |
| Literature Reference Author | W.MCGAHREN,B.HARDY,G.MORTON,F.LOVELL,N.PERKINSON,R.HARGREAVE S,D.BORDERS |
| Literature Reference Citation | J.ORG.CHEM.,46,792(1981) |
| Literature Reference DOI | 10.1021/jo00317a029 |
| Molecular Weight | 982.102 g/mol |
| Solvent | D2O |
| Source File Reference | UNIW20199 |