| SpectraBase Compound ID | 5B2WRER8T09 |
|---|---|
| InChI | InChI=1S/C39H42O15/c1-19-24(52-27(40)11-9-7-6-8-10-25-20(2)53-37(4,54-25)35(46)50-5)14-15-26(51-19)21-12-13-22-28(30(21)41)31(42)23-16-17-38(48)18-36(3,47)33(44)34(45)39(38,49)29(23)32(22)43/h6-13,16-17,19-20,24-26,33,41,44,47-49H,14-15,18H2,1-5H3/b7-6+,10-8+,11-9+/t19-,20+,24+,25+,26-,33+,36-,37+,38+,39-/m1/s1 |
| InChIKey | BWKMKQPPVILFDF-LVIFVNNOSA-N |
| Mol Weight | 750.7 g/mol |
| Molecular Formula | C39H42O15 |
| Exact Mass | 750.252371 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 91BdwrP2R0r |
|---|---|
| Name | FRADIMYCIN-A |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H42O15 |
| InChI | InChI=1S/C39H42O15/c1-19-24(52-27(40)11-9-7-6-8-10-25-20(2)53-37(4,54-25)35(46)50-5)14-15-26(51-19)21-12-13-22-28(30(21)41)31(42)23-16-17-38(48)18-36(3,47)33(44)34(45)39(38,49)29(23)32(22)43/h6-13,16-17,19-20,24-26,33,41,44,47-49H,14-15,18H2,1-5H3/b7-6+,10-8+,11-9+/t19-,20+,24+,25+,26-,33+,36-,37+,38+,39-/m1/s1 |
| InChIKey | BWKMKQPPVILFDF-LVIFVNNOSA-N |
| Literature Reference Author | W.XIN,X.YE,S.YU,X.Y.LIAN,Z.ZHANG |
| Literature Reference Citation | MAR.DRUGS,10,2388(2012) |
| Literature Reference DOI | 10.3390/md10112388 |
| Molecular Weight | 750.753 g/mol |
| Source File Reference | UWIR6046 |