| SpectraBase Compound ID | Er9e24Lj3Al |
|---|---|
| InChI | InChI=1S/C44H68N4O11/c1-7-8-9-10-13-22-36(49)54-28-19-16-21-33(46-26-17-11-12-18-27-47-43(53)59-44(4,5)6)38(51)40-41(58-42(45)52)39-34(56-39)25-24-30(2)29-35-48-32(31(3)55-35)20-14-15-23-37(50)57-40/h14-16,20-21,23,29,33-34,38-41,46,51H,7-13,17-19,22,24-28H2,1-6H3,(H2,45,52)(H,47,53)/b20-14+,21-16+,23-15-,30-29-/t33?,34-,38+,39+,40+,41-/m1/s1 |
| InChIKey | XHBNKKVZYKMXTK-OEWGAWDNSA-N |
| Mol Weight | 829.0 g/mol |
| Molecular Formula | C44H68N4O11 |
| Exact Mass | 828.488459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9XtgGvzrtuA |
|---|---|
| Name | XHBNKKVZYKMXTK-OEWGAWDNSA-N |
| Compound Number | 16 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H68N4O11 |
| InChI | InChI=1S/C44H68N4O11/c1-7-8-9-10-13-22-36(49)54-28-19-16-21-33(46-26-17-11-12-18-27-47-43(53)59-44(4,5)6)38(51)40-41(58-42(45)52)39-34(56-39)25-24-30(2)29-35-48-32(31(3)55-35)20-14-15-23-37(50)57-40/h14-16,20-21,23,29,33-34,38-41,46,51H,7-13,17-19,22,24-28H2,1-6H3,(H2,45,52)(H,47,53)/b20-14+,21-16+,23-15-,30-29-/t33?,34-,38+,39+,40+,41-/m1/s1 |
| InChIKey | XHBNKKVZYKMXTK-OEWGAWDNSA-N |
| Literature Reference Author | L.G.ZAR,A.BISHARA,M.AKNIN,D.NEUMANN,N.BEN-CALIFA,Y.KASHMAN |
| Literature Reference Citation | MAR.DRUGS,11,4487(2013) |
| Literature Reference DOI | 10.3390/md11114487 |
| Molecular Weight | 829.044 g/mol |
| Source File Reference | UWBT6616 |