| SpectraBase Compound ID | DNuwmBAbjpA |
|---|---|
| InChI | InChI=1S/C48H51N7O12S/c1-29-26-54(46(59)51-43(29)57)41-23-37(40(67-41)28-65-48(31-11-7-5-8-12-31,32-15-19-34(63-3)20-16-32)33-17-21-35(64-4)22-18-33)50-45(53-68(61,62)36-13-9-6-10-14-36)49-25-39-38(56)24-42(66-39)55-27-30(2)44(58)52-47(55)60/h5-22,26-27,37-42,56H,23-25,28H2,1-4H3,(H2,49,50,53)(H,51,57,59)(H,52,58,60)/t37-,38+,39-,40+,41+,42-/m1/s1 |
| InChIKey | CMIIMQJFQJVDMY-MTGOPFLASA-N |
| Mol Weight | 950.0 g/mol |
| Molecular Formula | C48H51N7O12S |
| Exact Mass | 949.331641 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 | 81P5PVm2MEc |
|---|---|
| Name | CMIIMQJFQJVDMY-MTGOPFLASA-N |
| Compound Number | 6B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H51N7O12S |
| InChI | InChI=1S/C48H51N7O12S/c1-29-26-54(46(59)51-43(29)57)41-23-37(40(67-41)28-65-48(31-11-7-5-8-12-31,32-15-19-34(63-3)20-16-32)33-17-21-35(64-4)22-18-33)50-45(53-68(61,62)36-13-9-6-10-14-36)49-25-39-38(56)24-42(66-39)55-27-30(2)44(58)52-47(55)60/h5-22,26-27,37-42,56H,23-25,28H2,1-4H3,(H2,49,50,53)(H,51,57,59)(H,52,58,60)/t37-,38+,39-,40+,41+,42-/m1/s1 |
| InChIKey | CMIIMQJFQJVDMY-MTGOPFLASA-N |
| Literature Reference Author | F.VANDENDRIESSCHE,A.VANAERSCHOT,M.VOORTMANS,G.JANSSEN,R.BUSS ON,A.VANOVERBEKE,W.V |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,1567(1993) |
| Literature Reference DOI | 10.1039/p19930001567 |
| Molecular Weight | 950.033 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP6719 |