| SpectraBase Compound ID | 9tCIc6k3T98 |
|---|---|
| InChI | InChI=1S/C49H66N6O10/c1-48(2,3)64-46(61)53-45(54-47(62)65-49(4,5)6)51-26-14-13-25-50-42(58)40-29-35-21-22-36(56)30-39(35)55(40)44(60)38(27-32-15-9-7-10-16-32)52-43(59)41(57)28-33-19-23-37(24-20-33)63-31-34-17-11-8-12-18-34/h7-12,15-20,23-24,35-36,38-41,56-57H,13-14,21-22,25-31H2,1-6H3,(H,50,58)(H,52,59)(H2,51,53,54,61,62)/t35-,36+,38-,39-,40-,41+/m0/s1 |
| InChIKey | PUFNADSPAVNISU-ZJIIMNLKSA-N |
| Mol Weight | 899.1 g/mol |
| Molecular Formula | C49H66N6O10 |
| Exact Mass | 898.484042 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | rNHOCTTcou |
|---|---|
| Name | PUFNADSPAVNISU-ZJIIMNLKSA-N |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H66N6O10 |
| InChI | InChI=1S/C49H66N6O10/c1-48(2,3)64-46(61)53-45(54-47(62)65-49(4,5)6)51-26-14-13-25-50-42(58)40-29-35-21-22-36(56)30-39(35)55(40)44(60)38(27-32-15-9-7-10-16-32)52-43(59)41(57)28-33-19-23-37(24-20-33)63-31-34-17-11-8-12-18-34/h7-12,15-20,23-24,35-36,38-41,56-57H,13-14,21-22,25-31H2,1-6H3,(H,50,58)(H,52,59)(H2,51,53,54,61,62)/t35-,36+,38-,39-,40-,41+/m0/s1 |
| InChIKey | PUFNADSPAVNISU-ZJIIMNLKSA-N |
| Literature Reference Author | N.VALLS,M.VALLRIBERA,M.LOPEZ-CANET,J.BONJOCH |
| Literature Reference Citation | J.ORG.CHEM.,67,4945(2002) |
| Literature Reference DOI | 10.1021/jo025709y |
| Molecular Weight | 899.097 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN23395 |