| SpectraBase Compound ID | 11IQQP04Piu |
|---|---|
| InChI | InChI=1S/C32H50N4O8/c1-21(2)14-12-10-8-7-9-11-13-15-29(40)36-30(23(4)43-24(5)37)32(42)35-27-20-26(44-25(6)38)18-19-33-28(39)17-16-22(3)34-31(27)41/h9,11,13,15-17,21-23,26-27,30H,7-8,10,12,14,18-20H2,1-6H3,(H,33,39)(H,34,41)(H,35,42)(H,36,40)/b11-9+,15-13+,17-16+/t22-,23-,26+,27+,30+/m1/s1 |
| InChIKey | BGLFMFDYLZPOER-GGPGYZNZSA-N |
| Mol Weight | 618.8 g/mol |
| Molecular Formula | C32H50N4O8 |
| Exact Mass | 618.362865 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L8YASk5cIFq |
|---|---|
| Name | CEPAFUNGIN-I-ACETYLATED |
| Compound Number | 1' |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H50N4O8 |
| InChI | InChI=1S/C32H50N4O8/c1-21(2)14-12-10-8-7-9-11-13-15-29(40)36-30(23(4)43-24(5)37)32(42)35-27-20-26(44-25(6)38)18-19-33-28(39)17-16-22(3)34-31(27)41/h9,11,13,15-17,21-23,26-27,30H,7-8,10,12,14,18-20H2,1-6H3,(H,33,39)(H,34,41)(H,35,42)(H,36,40)/b11-9+,15-13+,17-16+/t22-,23-,26+,27+,30+/m1/s1 |
| InChIKey | BGLFMFDYLZPOER-GGPGYZNZSA-N |
| Literature Reference Author | Y.TERUI,J.NISHIKAWA,H.HINOO,T.KATO,J.I.SHOJI |
| Literature Reference Citation | J.ANTIBIOTICS,43,788(1990) |
| Literature Reference DOI | 10.7164/antibiotics.43.788 |
| Molecular Weight | 618.771 g/mol |
| Sample ID | 40555 |
| Solvent | CD3OD |