| SpectraBase Compound ID | 3UGya0dYiwM |
|---|---|
| InChI | InChI=1S/C39H63N3O13/c1-12-29-39(9,48)33(45)25(7)40-35(46)21(3)20-38(8,51-13-2)34(55-37-31(44)28(41(10)11)18-22(4)52-37)23(5)32(24(6)36(47)53-29)54-30(43)19-26-14-16-27(17-15-26)42(49)50/h14-17,21-25,28-29,31-34,37,44-45,48H,12-13,18-20H2,1-11H3,(H,40,46)/t21-,22-,23+,24-,25-,28+,29-,31-,32+,33-,34-,37+,38-,39-/m1/s1 |
| InChIKey | RMQURWFOZOXWQX-AEFBHLTRSA-N |
| Mol Weight | 781.9 g/mol |
| Molecular Formula | C39H63N3O13 |
| Exact Mass | 781.436089 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KEjXMY2W3Iv |
|---|---|
| Name | 6-O-ETHYL-3-O-DECLADINOSYL-3-O-(4-NITROPHENYL)ACETYL-9A-AZA-9A-HOMOERYTHROMYCIN_A |
| Compound Number | 30 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H63N3O13 |
| InChI | InChI=1S/C39H63N3O13/c1-12-29-39(9,48)33(45)25(7)40-35(46)21(3)20-38(8,51-13-2)34(55-37-31(44)28(41(10)11)18-22(4)52-37)23(5)32(24(6)36(47)53-29)54-30(43)19-26-14-16-27(17-15-26)42(49)50/h14-17,21-25,28-29,31-34,37,44-45,48H,12-13,18-20H2,1-11H3,(H,40,46)/t21-,22-,23+,24-,25-,28+,29-,31-,32+,33-,34-,37+,38-,39-/m1/s1 |
| InChIKey | RMQURWFOZOXWQX-AEFBHLTRSA-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 | 781.942 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMB496 |