| SpectraBase Compound ID | 5y8EJznnuYP |
|---|---|
| InChI | InChI=1S/C31H48N4O8/c1-6-7-8-9-10-11-12-13-14-15-28(39)35-29(22(3)42-23(4)36)31(41)34-26-20-25(43-24(5)37)18-19-32-27(38)17-16-21(2)33-30(26)40/h12-17,21-22,25-26,29H,6-11,18-20H2,1-5H3,(H,32,38)(H,33,40)(H,34,41)(H,35,39)/b13-12+,15-14+,17-16+/t21-,22-,25+,26+,29+/m1/s1 |
| InChIKey | HUTPTSSKVFBTAK-RMENRVQUSA-N |
| Mol Weight | 604.7 g/mol |
| Molecular Formula | C31H48N4O8 |
| Exact Mass | 604.347215 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 80zTQ2lXUFI |
|---|---|
| Name | CEPAFUNGIN-II-ACETYLATED |
| Compound Number | 2' |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H48N4O8 |
| InChI | InChI=1S/C31H48N4O8/c1-6-7-8-9-10-11-12-13-14-15-28(39)35-29(22(3)42-23(4)36)31(41)34-26-20-25(43-24(5)37)18-19-32-27(38)17-16-21(2)33-30(26)40/h12-17,21-22,25-26,29H,6-11,18-20H2,1-5H3,(H,32,38)(H,33,40)(H,34,41)(H,35,39)/b13-12+,15-14+,17-16+/t21-,22-,25+,26+,29+/m1/s1 |
| InChIKey | HUTPTSSKVFBTAK-RMENRVQUSA-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 | 604.744 g/mol |
| Sample ID | 40556 |
| Solvent | CD3OD |