| SpectraBase Compound ID | JzE6zdoyS2G |
|---|---|
| InChI | InChI=1S/C38H61N3O13/c1-12-28-38(8,47)32(44)24(6)34(45)39-20(2)19-37(7,50-11)33(54-36-30(43)27(40(9)10)17-21(3)51-36)22(4)31(23(5)35(46)52-28)53-29(42)18-25-13-15-26(16-14-25)41(48)49/h13-16,20-24,27-28,30-33,36,43-44,47H,12,17-19H2,1-11H3,(H,39,45)/t20-,21-,22+,23-,24-,27+,28-,30-,31+,32-,33-,36+,37-,38-/m1/s1 |
| InChIKey | PXJJCEIRNLYMEW-CXGWONCJSA-N |
| Mol Weight | 767.9 g/mol |
| Molecular Formula | C38H61N3O13 |
| Exact Mass | 767.420439 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J2H6L4f4EPy |
|---|---|
| Name | 6-O-METHYL-3-O-DECLADINOSYL-3-O-(4-NITROPHENYL)ACETYL-8A-AZA-8A-HOMOERYTHROMYCIN_A |
| Compound Number | 24 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H61N3O13 |
| InChI | InChI=1S/C38H61N3O13/c1-12-28-38(8,47)32(44)24(6)34(45)39-20(2)19-37(7,50-11)33(54-36-30(43)27(40(9)10)17-21(3)51-36)22(4)31(23(5)35(46)52-28)53-29(42)18-25-13-15-26(16-14-25)41(48)49/h13-16,20-24,27-28,30-33,36,43-44,47H,12,17-19H2,1-11H3,(H,39,45)/t20-,21-,22+,23-,24-,27+,28-,30-,31+,32-,33-,36+,37-,38-/m1/s1 |
| InChIKey | PXJJCEIRNLYMEW-CXGWONCJSA-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 | 767.915 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMB464 |