| SpectraBase Compound ID | EeIFf9HyZ3C |
|---|---|
| InChI | InChI=1S/C41H52O7/c1-37(2,43)19-18-34-40(5,48-36(47-34)26-14-10-7-11-15-26)33-17-21-41(44)28-22-30(42)29-23-31-32(46-35(45-31)25-12-8-6-9-13-25)24-38(29,3)27(28)16-20-39(33,41)4/h6-15,22,27,29,31-36,43-44H,16-21,23-24H2,1-5H3/t27-,29-,31+,32-,33-,34+,35-,36+,38+,39+,40+,41+/m0/s1 |
| InChIKey | KOQWRBLAQWHYDD-PSCQRXOMSA-N |
| Mol Weight | 656.9 g/mol |
| Molecular Formula | C41H52O7 |
| Exact Mass | 656.371304 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GFqlZN4JekR |
|---|---|
| Name | KOQWRBLAQWHYDD-PSCQRXOMSA-N |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H52O7 |
| InChI | InChI=1S/C41H52O7/c1-37(2,43)19-18-34-40(5,48-36(47-34)26-14-10-7-11-15-26)33-17-21-41(44)28-22-30(42)29-23-31-32(46-35(45-31)25-12-8-6-9-13-25)24-38(29,3)27(28)16-20-39(33,41)4/h6-15,22,27,29,31-36,43-44H,16-21,23-24H2,1-5H3/t27-,29-,31+,32-,33-,34+,35-,36+,38+,39+,40+,41+/m0/s1 |
| InChIKey | KOQWRBLAQWHYDD-PSCQRXOMSA-N |
| Literature Reference Author | A.BALAZS,A.HUNYADI,J.CSABI,N.JEDLINSZKI,A.MARTINS,A.SIMON,G. TOTH |
| Literature Reference Citation | MAGN.RES.CHEM.,51,830(2013) |
| Literature Reference DOI | 10.1002/mrc.4015 |
| Molecular Weight | 656.860 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWIR13290 |