| SpectraBase Compound ID | EmLE6eD5nP5 |
|---|---|
| InChI | InChI=1S/C42H63N9O15/c1-40(2)22(13-52)34(58)31(37(61)28(16-55)64-40)49-10-25(43-46-49)19-7-20(26-11-50(47-44-26)32-35(59)23(14-53)41(3,4)65-29(17-56)38(32)62)9-21(8-19)27-12-51(48-45-27)33-36(60)24(15-54)42(5,6)66-30(18-57)39(33)63/h7-12,22-24,28-39,52-63H,13-18H2,1-6H3/t22-,23-,24-,28-,29-,30-,31-,32+,33+,34+,35-,36-,37-,38+,39+/m0/s1 |
| InChIKey | PKKPWWDZCMACJH-AOJJOOHFSA-N |
| Mol Weight | 934.0 g/mol |
| Molecular Formula | C42H63N9O15 |
| Exact Mass | 933.444362 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HCjJbvpudrT |
|---|---|
| Name | PKKPWWDZCMACJH-AOJJOOHFSA-N |
| Compound Number | 21 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H63N9O15 |
| InChI | InChI=1S/C42H63N9O15/c1-40(2)22(13-52)34(58)31(37(61)28(16-55)64-40)49-10-25(43-46-49)19-7-20(26-11-50(47-44-26)32-35(59)23(14-53)41(3,4)65-29(17-56)38(32)62)9-21(8-19)27-12-51(48-45-27)33-36(60)24(15-54)42(5,6)66-30(18-57)39(33)63/h7-12,22-24,28-39,52-63H,13-18H2,1-6H3/t22-,23-,24-,28-,29-,30-,31-,32+,33+,34+,35-,36-,37-,38+,39+/m0/s1 |
| InChIKey | PKKPWWDZCMACJH-AOJJOOHFSA-N |
| Literature Reference Author | L.BOUCHE,H.U.REISSIG |
| Literature Reference Citation | EUR.J.ORG.CHEM.,2014,3697(2014) |
| Literature Reference DOI | 10.1002/ejoc.201402191 |
| Molecular Weight | 934.014 g/mol |
| Solvent | C5D5N:CD3OD=2:1 |
| Source File Reference | UWIR18943 |