| SpectraBase Compound ID | 5bKIbaYcQDs |
|---|---|
| InChI | InChI=1S/C44H50N4O9/c1-6-27(51)19-26-22-43(35-29(13-17-47(23-26)39(43)52)28-11-8-9-12-32(28)45-35)31-20-30-33(21-34(31)55-4)48(24-49)37-42(30)15-18-46-16-10-14-41(7-2,36(42)46)38(57-25(3)50)44(37,54)40(53)56-5/h8-12,14,20-21,24,26,36-38,45,54H,6-7,13,15-19,22-23H2,1-5H3/t26-,36+,37-,38-,41-,42-,43-,44+/m1/s1 |
| InChIKey | VKHHGOSTXITQMO-SFGBJYMLSA-N |
| Mol Weight | 778.9 g/mol |
| Molecular Formula | C44H50N4O9 |
| Exact Mass | 778.357779 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3zIzfHG1YQL |
|---|---|
| Name | VKHHGOSTXITQMO-SFGBJYMLSA-N |
| Compound Number | M3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H50N4O9 |
| InChI | InChI=1S/C44H50N4O9/c1-6-27(51)19-26-22-43(35-29(13-17-47(23-26)39(43)52)28-11-8-9-12-32(28)45-35)31-20-30-33(21-34(31)55-4)48(24-49)37-42(30)15-18-46-16-10-14-41(7-2,36(42)46)38(57-25(3)50)44(37,54)40(53)56-5/h8-12,14,20-21,24,26,36-38,45,54H,6-7,13,15-19,22-23H2,1-5H3/t26-,36+,37-,38-,41-,42-,43-,44+/m1/s1 |
| InChIKey | VKHHGOSTXITQMO-SFGBJYMLSA-N |
| Literature Reference Author | J.B.DENNISON,P.KULANTHAIVEL,R.J.BARBUCH,J.L.RENBARGER,W.J.EH LHARDT,S.D.HALL |
| Literature Reference Citation | DRUG.MET.DISP.,34,1317(2006) |
| Literature Reference DOI | 10.1124/dmd.106.009902 |
| Molecular Weight | 778.902 g/mol |
| Source File Reference | UWLU74221 |