| SpectraBase Compound ID | 1ba1bon6Tzf |
|---|---|
| InChI | InChI=1S/C39H59N3O14/c1-12-28-39(8)33(55-37(47)56-39)24(6)40-34(45)20(2)19-38(7,50-11)32(54-36-30(44)27(41(9)10)17-21(3)51-36)22(4)31(23(5)35(46)52-28)53-29(43)18-25-13-15-26(16-14-25)42(48)49/h13-16,20-24,27-28,30-33,36,44H,12,17-19H2,1-11H3,(H,40,45)/t20-,21-,22+,23-,24-,27+,28-,30-,31+,32-,33-,36+,38-,39-/m1/s1 |
| InChIKey | MKZHTHLGYCKTDJ-DZLRJEDCSA-N |
| Mol Weight | 793.9 g/mol |
| Molecular Formula | C39H59N3O14 |
| Exact Mass | 793.399704 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J4bC97LfHT0 |
|---|---|
| Name | 6-O-METHYL-3-O-DECLADINOSYL-3-O-(4-NITROPHENYL)ACETYL-9A-AZA-9A-HOMOERYTHROMYCIN_A_11,12-CYCLIC-CARBONATE |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H59N3O14 |
| InChI | InChI=1S/C39H59N3O14/c1-12-28-39(8)33(55-37(47)56-39)24(6)40-34(45)20(2)19-38(7,50-11)32(54-36-30(44)27(41(9)10)17-21(3)51-36)22(4)31(23(5)35(46)52-28)53-29(43)18-25-13-15-26(16-14-25)42(48)49/h13-16,20-24,27-28,30-33,36,44H,12,17-19H2,1-11H3,(H,40,45)/t20-,21-,22+,23-,24-,27+,28-,30-,31+,32-,33-,36+,38-,39-/m1/s1 |
| InChIKey | MKZHTHLGYCKTDJ-DZLRJEDCSA-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 | 793.909 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMB493 |