| SpectraBase Compound ID | 1CP9dITRhph |
|---|---|
| InChI | InChI=1S/C49H50N8O10S/c1-28-25-56(47(61)53-43(28)59)41-22-36(39(67-41)27-65-49(30-10-6-5-7-11-30,31-14-18-33(63-3)19-15-31)32-16-20-34(64-4)21-17-32)51-45(55-46-52-35-12-8-9-13-40(35)68-46)50-24-38-37(58)23-42(66-38)57-26-29(2)44(60)54-48(57)62/h5-21,25-26,36-39,41-42,58H,22-24,27H2,1-4H3,(H,53,59,61)(H,54,60,62)(H2,50,51,52,55)/t36-,37-,38+,39+,41+,42+/m1/s1 |
| InChIKey | VQXDQGWPOUOTMS-JIGBSDAESA-N |
| Mol Weight | 943.0 g/mol |
| Molecular Formula | C49H50N8O10S |
| Exact Mass | 942.337061 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 | 3BdpOSsAYGw |
|---|---|
| Name | VQXDQGWPOUOTMS-JIGBSDAESA-N |
| Compound Number | 6J |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H50N8O10S |
| InChI | InChI=1S/C49H50N8O10S/c1-28-25-56(47(61)53-43(28)59)41-22-36(39(67-41)27-65-49(30-10-6-5-7-11-30,31-14-18-33(63-3)19-15-31)32-16-20-34(64-4)21-17-32)51-45(55-46-52-35-12-8-9-13-40(35)68-46)50-24-38-37(58)23-42(66-38)57-26-29(2)44(60)54-48(57)62/h5-21,25-26,36-39,41-42,58H,22-24,27H2,1-4H3,(H,53,59,61)(H,54,60,62)(H2,50,51,52,55)/t36-,37-,38+,39+,41+,42+/m1/s1 |
| InChIKey | VQXDQGWPOUOTMS-JIGBSDAESA-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 | 943.044 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP6727 |