| SpectraBase Compound ID | BAvBD1a8gDk |
|---|---|
| InChI | InChI=1S/C39H61N3O13/c1-12-29-39(8,48)33(45)25(6)35(46)40-21(2)20-38(7,51-11)34(55-37-31(44)28(41(9)10)19-22(3)52-37)23(4)32(24(5)36(47)53-29)54-30(43)18-15-26-13-16-27(17-14-26)42(49)50/h13-18,21-25,28-29,31-34,37,44-45,48H,12,19-20H2,1-11H3,(H,40,46)/b18-15+/t21-,22-,23+,24-,25-,28+,29-,31-,32+,33-,34-,37+,38-,39-/m1/s1 |
| InChIKey | WKDQFPLOSPAUKL-VFVXNQJTSA-N |
| Mol Weight | 779.9 g/mol |
| Molecular Formula | C39H61N3O13 |
| Exact Mass | 779.420439 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 30PCl8VMTvB |
|---|---|
| Name | 6-O-METHYL-3-O-DECLADINOSYL-3-O-(4-NITROPHENYL)ACRYLOYL8A-AZA-8A-HOMOERYTHROMYCIN_A |
| Compound Number | 21 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H61N3O13 |
| InChI | InChI=1S/C39H61N3O13/c1-12-29-39(8,48)33(45)25(6)35(46)40-21(2)20-38(7,51-11)34(55-37-31(44)28(41(9)10)19-22(3)52-37)23(4)32(24(5)36(47)53-29)54-30(43)18-15-26-13-16-27(17-14-26)42(49)50/h13-18,21-25,28-29,31-34,37,44-45,48H,12,19-20H2,1-11H3,(H,40,46)/b18-15+/t21-,22-,23+,24-,25-,28+,29-,31-,32+,33-,34-,37+,38-,39-/m1/s1 |
| InChIKey | WKDQFPLOSPAUKL-VFVXNQJTSA-N |
| Literature Reference Author | S.ALIHODZIC,A.FAJDETIC,G.KOBREHEL,G.LAZAREVSKI,S.MUTAK,D.PAV LOVIC,V.STIMAC,H.CIP |
| Literature Reference Citation | J.ANTIBIOTICS,59,753(2006) |
| Literature Reference DOI | 10.1038/ja.2006.100 |
| Molecular Weight | 779.926 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMB461 |