| SpectraBase Compound ID | 2NQ5PfSm9EX |
|---|---|
| InChI | InChI=1S/C37H69BN2O13/c1-14-26-37(10)32(52-38(45)53-37)23(6)39-18-19(2)16-35(8,44)31(51-34-28(41)25(40(11)12)15-20(3)47-34)21(4)29(22(5)33(43)49-26)50-27-17-36(9,46-13)30(42)24(7)48-27/h19-32,34,39,41-42,44-45H,14-18H2,1-13H3/t19-,20+,21-,22-,23-,24+,25-,26-,27+,28+,29+,30+,31-,32+,34-,35-,36-,37-/m1/s1 |
| InChIKey | HYRDEOCVKKVHJZ-SUHYHTCGSA-N |
| Mol Weight | 760.8 g/mol |
| Molecular Formula | C37H69BN2O13 |
| Exact Mass | 760.48927 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KwRu25cVZSI |
|---|---|
| Name | 9-DEOXO-9A-AZA-9A-HOMOERYTHROMYCIN-A-HYDROGENBORATE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H69BN2O13 |
| InChI | InChI=1S/C37H69BN2O13/c1-14-26-37(10)32(52-38(45)53-37)23(6)39-18-19(2)16-35(8,44)31(51-34-28(41)25(40(11)12)15-20(3)47-34)21(4)29(22(5)33(43)49-26)50-27-17-36(9,46-13)30(42)24(7)48-27/h19-32,34,39,41-42,44-45H,14-18H2,1-13H3/t19-,20+,21-,22-,23-,24+,25-,26-,27+,28+,29+,30+,31-,32+,34-,35-,36-,37-/m1/s1 |
| InChIKey | HYRDEOCVKKVHJZ-SUHYHTCGSA-N |
| Literature Reference Author | M.BAYOD-JASANADA,R.J.CARBAJO,F.LOPEZ-ORTIZ |
| Literature Reference Citation | MAGN.RES.CHEM.,36,217(1998) |
| Literature Reference DOI | 10.1002/(sici)1097-458x(199803)36:3<217::aid-omr248>3.0.co;2-a |
| Molecular Weight | 760.770 g/mol |
| Solvent | CDCl3;C=0.07-0.09M |
| Source File Reference | UWCS25316 |