| SpectraBase Compound ID | 1QpJWRYLcAP |
|---|---|
| InChI | InChI=1S/C43H49N7O12S/c1-25-22-49(41(54)46-38(25)52)36-19-32(45-40(48-63(5,56)57)44-21-34-33(51)20-37(61-34)50-23-26(2)39(53)47-42(50)55)35(62-36)24-60-43(27-9-7-6-8-10-27,28-11-15-30(58-3)16-12-28)29-13-17-31(59-4)18-14-29/h6-18,22-23,32-37,51H,19-21,24H2,1-5H3,(H2,44,45,48)(H,46,52,54)(H,47,53,55)/t32-,33+,34-,35+,36+,37-/m1/s1 |
| InChIKey | XPYANQJBFSYAEC-JNNULYRASA-N |
| Mol Weight | 888.0 g/mol |
| Molecular Formula | C43H49N7O12S |
| Exact Mass | 887.315991 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GxnKHZzNixv |
|---|---|
| Name | XPYANQJBFSYAEC-JNNULYRASA-N |
| Compound Number | 6A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H49N7O12S |
| InChI | InChI=1S/C43H49N7O12S/c1-25-22-49(41(54)46-38(25)52)36-19-32(45-40(48-63(5,56)57)44-21-34-33(51)20-37(61-34)50-23-26(2)39(53)47-42(50)55)35(62-36)24-60-43(27-9-7-6-8-10-27,28-11-15-30(58-3)16-12-28)29-13-17-31(59-4)18-14-29/h6-18,22-23,32-37,51H,19-21,24H2,1-5H3,(H2,44,45,48)(H,46,52,54)(H,47,53,55)/t32-,33+,34-,35+,36+,37-/m1/s1 |
| InChIKey | XPYANQJBFSYAEC-JNNULYRASA-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 | 887.962 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP6718 |