| SpectraBase Compound ID | JvKSTbsKlWz |
|---|---|
| InChI | InChI=1S/2C20H23N5O6/c2*21-19-18-20(25(9-22-18)17-5-13(28)16(7-26)31-17)23-8-24(19)6-12(27)3-11-1-2-14-15(4-11)30-10-29-14/h2*1-2,4,8-9,12-13,16-17,21,26-28H,3,5-7,10H2/t12-,13+,16-,17-;12-,13-,16+,17+/m10/s1 |
| InChIKey | MPGJXHPGCOYZIB-WWTKAHTLSA-N |
| Mol Weight | 858.87 g/mol |
| Molecular Formula | C40H46N10O12 |
| Exact Mass | 858.329667 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3gDkj6X3Xgr |
|---|---|
| Name | MIXTURE |
| Compound Number | RACEMIC-#4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H46N10O12 |
| InChI | InChI=1S/2C20H23N5O6/c2*21-19-18-20(25(9-22-18)17-5-13(28)16(7-26)31-17)23-8-24(19)6-12(27)3-11-1-2-14-15(4-11)30-10-29-14/h2*1-2,4,8-9,12-13,16-17,21,26-28H,3,5-7,10H2/t12-,13+,16-,17-;12-,13-,16+,17+/m10/s1 |
| InChIKey | MPGJXHPGCOYZIB-WWTKAHTLSA-N |
| Literature Reference Author | L.C.SHEN,S.Y.CHIANG,I.T.HO,K.Y.WU,W.S.CHUNG |
| Literature Reference Citation | EUR.J.ORG.CHEM.,2012,792(2012) |
| Literature Reference DOI | 10.1002/ejoc.201101384 |
| Molecular Weight | 858.865 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWLU85107 |