| SpectraBase Compound ID | KPAThZoJw93 |
|---|---|
| InChI | InChI=1S/C32H45N5O9/c1-8-18(4)26(30(41)33-19(5)32(43)44)37-31(42)27-28(46-23(36-27)14-15-24(39)45-7)22(16-21-12-10-9-11-13-21)35-29(40)25(17(2)3)34-20(6)38/h9-13,17-19,22,25-26H,8,14-16H2,1-7H3,(H,33,41)(H,34,38)(H,35,40)(H,37,42)(H,43,44)/t18?,19-,22-,25+,26-/m0/s1 |
| InChIKey | MQFMNTCKVXVDNT-CLSYNMSGSA-N |
| Mol Weight | 643.7 g/mol |
| Molecular Formula | C32H45N5O9 |
| Exact Mass | 643.321728 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 47F3442PcYt |
|---|---|
| Name | MQFMNTCKVXVDNT-CLSYNMSGSA-N |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H45N5O9 |
| InChI | InChI=1S/C32H45N5O9/c1-8-18(4)26(30(41)33-19(5)32(43)44)37-31(42)27-28(46-23(36-27)14-15-24(39)45-7)22(16-21-12-10-9-11-13-21)35-29(40)25(17(2)3)34-20(6)38/h9-13,17-19,22,25-26H,8,14-16H2,1-7H3,(H,33,41)(H,34,38)(H,35,40)(H,37,42)(H,43,44)/t18?,19-,22-,25+,26-/m0/s1 |
| InChIKey | MQFMNTCKVXVDNT-CLSYNMSGSA-N |
| Literature Reference Author | E.MANN,H.KESSLER |
| Literature Reference Citation | ORG.LETTERS,5,4567(2003) |
| Literature Reference DOI | 10.1021/ol035673b |
| Molecular Weight | 643.737 g/mol |
| Sample ID | 38714 |
| Solvent | CDCl3 |