| SpectraBase Compound ID | 85o1HPg7oK3 |
|---|---|
| InChI | InChI=1S/C45H47N5O14/c1-26(51)61-39-33(63-42(40(39)62-27(2)52)50-22-20-36(54)48-44(50)57)23-37(55)46-24-32-34(64-41(38(32)59-4)49-21-19-35(53)47-43(49)56)25-60-45(28-11-7-5-8-12-28,29-13-9-6-10-14-29)30-15-17-31(58-3)18-16-30/h5-22,32-34,38-42H,23-25H2,1-4H3,(H,46,55)(H,47,53,56)(H,48,54,57)/t32-,33+,34-,38-,39+,40+,41-,42+/m0/s1 |
| InChIKey | YPDMNBWZSUNJKU-BCPFNBQCSA-N |
| Mol Weight | 881.9 g/mol |
| Molecular Formula | C45H47N5O14 |
| Exact Mass | 881.311951 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FxNK5ff6Mhv |
|---|---|
| Name | YPDMNBWZSUNJKU-BCPFNBQCSA-N |
| Compound Number | 18B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H47N5O14 |
| InChI | InChI=1S/C45H47N5O14/c1-26(51)61-39-33(63-42(40(39)62-27(2)52)50-22-20-36(54)48-44(50)57)23-37(55)46-24-32-34(64-41(38(32)59-4)49-21-19-35(53)47-43(49)56)25-60-45(28-11-7-5-8-12-28,29-13-9-6-10-14-29)30-15-17-31(58-3)18-16-30/h5-22,32-34,38-42H,23-25H2,1-4H3,(H,46,55)(H,47,53,56)(H,48,54,57)/t32-,33+,34-,38-,39+,40+,41-,42+/m0/s1 |
| InChIKey | YPDMNBWZSUNJKU-BCPFNBQCSA-N |
| Literature Reference Author | E.ROZNERS,D.KATKEVICA,E.BIZDENA,R.STROEMBERG |
| Literature Reference Citation | J.AM.CHEM.SOC.,125,12125(2003) |
| Literature Reference DOI | 10.1021/ja0360900 |
| Molecular Weight | 881.893 g/mol |
| Sample ID | 50610 |
| Solvent | CDCl3 |