| SpectraBase Compound ID | DaTiJ9RRKZJ |
|---|---|
| InChI | InChI=1S/C43H53N15O11/c1-26-33(52-57-47)38(61-19-17-59)41(62-20-18-60)43(66-26)69-40-35(63-23-27-11-5-2-6-12-27)30(50-55-45)21-31(51-56-46)36(40)68-42-34(53-58-48)39(65-25-29-15-9-4-10-16-29)37(32(67-42)22-49-54-44)64-24-28-13-7-3-8-14-28/h2-16,26,30-43,59-60H,17-25H2,1H3/t26-,30+,31-,32+,33-,34+,35-,36+,37+,38+,39+,40+,41-,42+,43+/m1/s1 |
| InChIKey | ICHPABRAMQVDQT-SIMNVGGASA-N |
| Mol Weight | 956.0 g/mol |
| Molecular Formula | C43H53N15O11 |
| Exact Mass | 955.404898 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DNo0e6rFzhq |
|---|---|
| Name | ICHPABRAMQVDQT-SIMNVGGASA-N |
| Compound Number | 33 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H53N15O11 |
| InChI | InChI=1S/C43H53N15O11/c1-26-33(52-57-47)38(61-19-17-59)41(62-20-18-60)43(66-26)69-40-35(63-23-27-11-5-2-6-12-27)30(50-55-45)21-31(51-56-46)36(40)68-42-34(53-58-48)39(65-25-29-15-9-4-10-16-29)37(32(67-42)22-49-54-44)64-24-28-13-7-3-8-14-28/h2-16,26,30-43,59-60H,17-25H2,1H3/t26-,30+,31-,32+,33-,34+,35-,36+,37+,38+,39+,40+,41-,42+,43+/m1/s1 |
| InChIKey | ICHPABRAMQVDQT-SIMNVGGASA-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 | 955.988 g/mol |
| Sample ID | 49428 |
| Solvent | CDCl3 |