| SpectraBase Compound ID | 5qP120FlCPU |
|---|---|
| InChI | InChI=1S/C31H38N2O7/c1-5-6-11-19(2)16-20(3)17-21(4)30(38)32-22-18-31(39,29-28(40-29)27(22)37)15-10-8-7-9-12-25(36)33-26-23(34)13-14-24(26)35/h7-10,12,15-19,28-29,34,39H,5-6,11,13-14H2,1-4H3,(H,32,38)(H,33,36)/b8-7+,12-9+,15-10+,20-16+,21-17+/t19-,28-,29-,31-/m1/s1 |
| InChIKey | TWWQHCKLTXDWBD-DGQORARFSA-N |
| Mol Weight | 550.7 g/mol |
| Molecular Formula | C31H38N2O7 |
| Exact Mass | 550.267902 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Y95KO4l5fq |
|---|---|
| Name | MANUMYCIN-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H38N2O7 |
| InChI | InChI=1S/C31H38N2O7/c1-5-6-11-19(2)16-20(3)17-21(4)30(38)32-22-18-31(39,29-28(40-29)27(22)37)15-10-8-7-9-12-25(36)33-26-23(34)13-14-24(26)35/h7-10,12,15-19,28-29,34,39H,5-6,11,13-14H2,1-4H3,(H,32,38)(H,33,36)/b8-7+,12-9+,15-10+,20-16+,21-17+/t19-,28-,29-,31-/m1/s1 |
| InChIKey | TWWQHCKLTXDWBD-DGQORARFSA-N |
| Literature Reference Author | I.SATTLER,C.GROENE,A.ZEECK |
| Literature Reference Citation | J.ORG.CHEM.,58,6583(1993) |
| Literature Reference DOI | 10.1021/jo00076a015 |
| Molecular Weight | 550.652 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS19547 |