| SpectraBase Compound ID | BIcaZNNSbA4 |
|---|---|
| InChI | InChI=1S/C45H53N15O12/c1-26-35(54-59-49)40(64-20-19-63-27(2)61)43(69-28(3)62)45(68-26)72-42-37(65-23-29-13-7-4-8-14-29)32(52-57-47)21-33(53-58-48)38(42)71-44-36(55-60-50)41(67-25-31-17-11-6-12-18-31)39(34(70-44)22-51-56-46)66-24-30-15-9-5-10-16-30/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 | ZOHVHCSGYQWLFT-CMIPQKEKSA-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 | 8qiJfO9n1MB |
|---|---|
| Name | ZOHVHCSGYQWLFT-CMIPQKEKSA-N |
| Compound Number | 27 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H53N15O12 |
| InChI | InChI=1S/C45H53N15O12/c1-26-35(54-59-49)40(64-20-19-63-27(2)61)43(69-28(3)62)45(68-26)72-42-37(65-23-29-13-7-4-8-14-29)32(52-57-47)21-33(53-58-48)38(42)71-44-36(55-60-50)41(67-25-31-17-11-6-12-18-31)39(34(70-44)22-51-56-46)66-24-30-15-9-5-10-16-30/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 | ZOHVHCSGYQWLFT-CMIPQKEKSA-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 | 49425 |
| Solvent | CDCl3 |