| SpectraBase Compound ID | 5sYBKDimYWX |
|---|---|
| InChI | InChI=1S/C35H58O9/c1-19(2)32-24(7)27(36)18-35(40,44-32)26(9)31(38)25(8)33-28(41-10)14-12-13-20(3)15-22(5)30(37)23(6)16-21(4)17-29(42-11)34(39)43-33/h12-14,16-17,19,22-28,30-33,36-38,40H,15,18H2,1-11H3/b14-12+,20-13+,21-16+,29-17-/t22-,23+,24-,25-,26+,27+,28-,30-,31-,32+,33+,35+/m0/s1 |
| InChIKey | XDHNQDDQEHDUTM-LAUIJQLXSA-N |
| Mol Weight | 622.8 g/mol |
| Molecular Formula | C35H58O9 |
| Exact Mass | 622.408083 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FzUqugxrT9K |
|---|---|
| Name | BAFILOMYCIN-A1 |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H58O9 |
| InChI | InChI=1S/C35H58O9/c1-19(2)32-24(7)27(36)18-35(40,44-32)26(9)31(38)25(8)33-28(41-10)14-12-13-20(3)15-22(5)30(37)23(6)16-21(4)17-29(42-11)34(39)43-33/h12-14,16-17,19,22-28,30-33,36-38,40H,15,18H2,1-11H3/b14-12+,20-13+,21-16+,29-17-/t22-,23+,24-,25-,26+,27+,28-,30-,31-,32+,33+,35+/m0/s1 |
| InChIKey | XDHNQDDQEHDUTM-LAUIJQLXSA-N |
| Literature Reference Author | K.A.SCHEIDT,T.D.BANNISTER,A.TASAKA,M.D.WENDT,B.M.SAVALL,G.J. FEGLEY,W.R.ROUSH |
| Literature Reference Citation | J.AM.CHEM.SOC.,124,6981(2002) |
| Literature Reference DOI | 10.1021/ja017885e |
| Molecular Weight | 622.840 g/mol |
| Sample ID | 49812 |
| Solvent | Unknown |