| SpectraBase Compound ID | BYEWhVr0PE9 |
|---|---|
| InChI | InChI=1S/C31H34N2O7/c34-23-17-18-24(35)27(23)33-26(37)16-10-3-4-11-19-31(39)20-22(28(38)29-30(31)40-29)32-25(36)15-9-2-1-6-12-21-13-7-5-8-14-21/h1-4,6,9-12,15-16,19-21,29-30,34,39H,5,7-8,13-14,17-18H2,(H,32,36)(H,33,37)/b2-1+,4-3+,12-6+,15-9+,16-10+,19-11+/t29-,30-,31+/m1/s1 |
| InChIKey | SSHVAUUEPNULMP-JHWDTTIQSA-N |
| Mol Weight | 546.6 g/mol |
| Molecular Formula | C31H34N2O7 |
| Exact Mass | 546.236601 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9yPqZrSp4eZ |
|---|---|
| Name | ASUKAMYCIN |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H34N2O7 |
| InChI | InChI=1S/C31H34N2O7/c34-23-17-18-24(35)27(23)33-26(37)16-10-3-4-11-19-31(39)20-22(28(38)29-30(31)40-29)32-25(36)15-9-2-1-6-12-21-13-7-5-8-14-21/h1-4,6,9-12,15-16,19-21,29-30,34,39H,5,7-8,13-14,17-18H2,(H,32,36)(H,33,37)/b2-1+,4-3+,12-6+,15-9+,16-10+,19-11+/t29-,30-,31+/m1/s1 |
| InChIKey | SSHVAUUEPNULMP-JHWDTTIQSA-N |
| Literature Reference Author | R.THIERICKE,A.ZEECK,A.NAKAGAWA,S.OMURA,R.E.HERROLD,S.T.S.WU, J.M.BEALE,H.G.FLOSS |
| Literature Reference Citation | J.AM.CHEM.SOC.,112,3979(1990) |
| Literature Reference DOI | 10.1021/ja00166a039 |
| Molecular Weight | 546.620 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU6691 |