| SpectraBase Compound ID | 73t1NN5wYHC |
|---|---|
| InChI | InChI=1S/C46H54N4O11/c1-7-29(54)20-28-23-45(41(55)59-5,37-31(14-18-48(24-28)25-51)30-12-9-10-13-34(30)47-37)33-21-32-35(22-36(33)58-4)50(26-52)39-44(32)16-19-49-17-11-15-43(8-2,38(44)49)40(61-27(3)53)46(39,57)42(56)60-6/h9-13,15,21-22,25-26,28,38-40,47,57H,7-8,14,16-20,23-24H2,1-6H3/t28-,38+,39-,40-,43-,44-,45+,46+/m1/s1 |
| InChIKey | DFUHOOBFVYTEFW-AGJHSZMPSA-N |
| Mol Weight | 839.0 g/mol |
| Molecular Formula | C46H54N4O11 |
| Exact Mass | 838.378909 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BQbmFHuiyhH |
|---|---|
| Name | DFUHOOBFVYTEFW-AGJHSZMPSA-N |
| Compound Number | M2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H54N4O11 |
| InChI | InChI=1S/C46H54N4O11/c1-7-29(54)20-28-23-45(41(55)59-5,37-31(14-18-48(24-28)25-51)30-12-9-10-13-34(30)47-37)33-21-32-35(22-36(33)58-4)50(26-52)39-44(32)16-19-49-17-11-15-43(8-2,38(44)49)40(61-27(3)53)46(39,57)42(56)60-6/h9-13,15,21-22,25-26,28,38-40,47,57H,7-8,14,16-20,23-24H2,1-6H3/t28-,38+,39-,40-,43-,44-,45+,46+/m1/s1 |
| InChIKey | DFUHOOBFVYTEFW-AGJHSZMPSA-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 | 838.955 g/mol |
| Source File Reference | UWLU74220 |