| SpectraBase Compound ID | 3S50na5Z3go |
|---|---|
| InChI | InChI=1S/C25H37NO5/c1-14(2)8-21-23-17(5)16(4)11-19-10-15(3)9-18(13-27)12-20(28)6-7-22(29)31-25(19,23)24(30)26-21/h6-7,10-11,14,17-21,23,27-28H,8-9,12-13H2,1-5H3,(H,26,30)/b7-6-,15-10-/t17-,18+,19+,20-,21+,23+,25-/m1/s1 |
| InChIKey | IXONDWQZWWLZDF-KIBYDTFYSA-N |
| Mol Weight | 431.6 g/mol |
| Molecular Formula | C25H37NO5 |
| Exact Mass | 431.267173 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KG6r0ig27Xg |
|---|---|
| Name | PHOMACIN-B |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H37NO5 |
| InChI | InChI=1S/C25H37NO5/c1-14(2)8-21-23-17(5)16(4)11-19-10-15(3)9-18(13-27)12-20(28)6-7-22(29)31-25(19,23)24(30)26-21/h6-7,10-11,14,17-21,23,27-28H,8-9,12-13H2,1-5H3,(H,26,30)/b7-6-,15-10-/t17-,18+,19+,20-,21+,23+,25-/m1/s1 |
| InChIKey | IXONDWQZWWLZDF-KIBYDTFYSA-N |
| Literature Reference Author | K.A.ALVI,B.NAIR,H.PU,R.URSINO,C.GALLO,U.MOCEK |
| Literature Reference Citation | J.ORG.CHEM.,62,2148(1997) |
| Literature Reference DOI | 10.1021/jo962321s |
| Molecular Weight | 431.572 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS23599 |