| SpectraBase Compound ID | 1OSEh8qCVS4 |
|---|---|
| InChI | InChI=1S/C45H53N15O12/c1-26-36(68-27(2)61)41(63-20-19-51-56-46)43(69-28(3)62)45(67-26)72-42-37(64-23-29-13-7-4-8-14-29)32(53-58-48)21-33(54-59-49)38(42)71-44-35(55-60-50)40(66-25-31-17-11-6-12-18-31)39(34(70-44)22-52-57-47)65-24-30-15-9-5-10-16-30/h4-18,26,32-45H,19-25H2,1-3H3/t26-,32+,33-,34+,35+,36-,37-,38+,39+,40+,41+,42+,43-,44+,45+/m1/s1 |
| InChIKey | OSTIYGWEEQZHDB-YZRUPUGMSA-N |
| Mol Weight | 996.0 g/mol |
| Molecular Formula | C45H53N15O12 |
| Exact Mass | 995.399812 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EuizGjvWpqJ |
|---|---|
| Name | OSTIYGWEEQZHDB-YZRUPUGMSA-N |
| Compound Number | 30 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H53N15O12 |
| InChI | InChI=1S/C45H53N15O12/c1-26-36(68-27(2)61)41(63-20-19-51-56-46)43(69-28(3)62)45(67-26)72-42-37(64-23-29-13-7-4-8-14-29)32(53-58-48)21-33(54-59-49)38(42)71-44-35(55-60-50)40(66-25-31-17-11-6-12-18-31)39(34(70-44)22-52-57-47)65-24-30-15-9-5-10-16-30/h4-18,26,32-45H,19-25H2,1-3H3/t26-,32+,33-,34+,35+,36-,37-,38+,39+,40+,41+,42+,43-,44+,45+/m1/s1 |
| InChIKey | OSTIYGWEEQZHDB-YZRUPUGMSA-N |
| Literature Reference Author | J.LI,J.WANG,Y.HUI,C.T.CHANG |
| Literature Reference Citation | ORG.LETTERS,5,431(2003) |
| Literature Reference DOI | 10.1021/ol027288c |
| Molecular Weight | 996.009 g/mol |
| Sample ID | 49427 |
| Solvent | CDCl3 |