| SpectraBase Compound ID | 3UZCwfIGPyX |
|---|---|
| InChI | InChI=1S/C31H30N4O9S/c36-15-22-24(38)25(30(44-22)35-14-11-23(37)32-31(35)43)45-16-17(9-12-33-26(39)18-5-1-2-6-19(18)27(33)40)10-13-34-28(41)20-7-3-4-8-21(20)29(34)42/h1-8,11,14,17,22,24-25,30,36,38H,9-10,12-13,15-16H2,(H,32,37,43)/t22-,24-,25-,30-/m0/s1 |
| InChIKey | JGAZYMIDOXJWOU-BKHUFRFQSA-N |
| Mol Weight | 634.66 g/mol |
| Molecular Formula | C31H30N4O9S |
| Exact Mass | 634.17335 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | B5RuN9Mcj7u |
|---|---|
| Name | JGAZYMIDOXJWOU-BKHUFRFQSA-N |
| Compound Number | 2A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H30N4O9S |
| InChI | InChI=1S/C31H30N4O9S/c36-15-22-24(38)25(30(44-22)35-14-11-23(37)32-31(35)43)45-16-17(9-12-33-26(39)18-5-1-2-6-19(18)27(33)40)10-13-34-28(41)20-7-3-4-8-21(20)29(34)42/h1-8,11,14,17,22,24-25,30,36,38H,9-10,12-13,15-16H2,(H,32,37,43)/t22-,24-,25-,30-/m0/s1 |
| InChIKey | JGAZYMIDOXJWOU-BKHUFRFQSA-N |
| Literature Reference Author | L.ZHU,P.S.LUKEMAN,J.W.CANARY,N.C.SEEMAN |
| Literature Reference Citation | J.AM.CHEM.SOC.,125,10178(2003) |
| Literature Reference DOI | 10.1021/ja035186r |
| Molecular Weight | 634.661 g/mol |
| Sample ID | 35119 |
| Solvent | CD3OD |