| SpectraBase Compound ID | J4sjRIKdADL |
|---|---|
| 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+/m0/s1 |
| InChIKey | TWWQHCKLTXDWBD-LQDRFOCOSA-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 | Btse4G9lXBu |
|---|---|
| Name | (+)-MANUMYCIN-A |
| Compound Number | 13 |
| 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+/m0/s1 |
| InChIKey | TWWQHCKLTXDWBD-LQDRFOCOSA-N |
| Literature Reference Author | L.ALCARAZ,G.MACDONALD,J.P.RAGOT,N.LEWIS,R.J.K.TAYLOR |
| Literature Reference Citation | J.ORG.CHEM.,63,3526(1998) |
| Literature Reference DOI | 10.1021/jo980340r |
| Molecular Weight | 550.652 g/mol |
| Sample ID | 37373 |
| Solvent | CDCl3 |