| SpectraBase Compound ID | LaZkY3jbi01 |
|---|---|
| InChI | InChI=1S/C30H46N4O8/c1-19(2)12-10-8-7-9-11-13-27(38)34-28(21(4)41-22(5)35)30(40)33-25-18-24(42-23(6)36)16-17-31-26(37)15-14-20(3)32-29(25)39/h7,9,11,13-15,19-21,24-25,28H,8,10,12,16-18H2,1-6H3,(H,31,37)(H,32,39)(H,33,40)(H,34,38)/b9-7+,13-11+,15-14+/t20-,21-,24+,25+,28+/m1/s1 |
| InChIKey | MGNQKSXQCDIFSS-SXFMIGAOSA-N |
| Mol Weight | 590.7 g/mol |
| Molecular Formula | C30H46N4O8 |
| Exact Mass | 590.331564 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DXjHRkdMtjf |
|---|---|
| Name | CEPAFUNGIN-III-ACETYLATED |
| Compound Number | 3' |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H46N4O8 |
| InChI | InChI=1S/C30H46N4O8/c1-19(2)12-10-8-7-9-11-13-27(38)34-28(21(4)41-22(5)35)30(40)33-25-18-24(42-23(6)36)16-17-31-26(37)15-14-20(3)32-29(25)39/h7,9,11,13-15,19-21,24-25,28H,8,10,12,16-18H2,1-6H3,(H,31,37)(H,32,39)(H,33,40)(H,34,38)/b9-7+,13-11+,15-14+/t20-,21-,24+,25+,28+/m1/s1 |
| InChIKey | MGNQKSXQCDIFSS-SXFMIGAOSA-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 | 590.717 g/mol |
| Sample ID | 40557 |
| Solvent | CD3OD |