| SpectraBase Compound ID | C6sJfqhwgas |
|---|---|
| InChI | InChI=1S/C31H35ClN2O6/c1-5-6-11-19(2)16-20(3)17-21(4)31(40)33-23-18-26(37)22(28(32)30(23)39)12-9-7-8-10-13-27(38)34-29-24(35)14-15-25(29)36/h7-10,12-13,16-19,35H,5-6,11,14-15H2,1-4H3,(H,33,40)(H,34,38)/b8-7+,12-9+,13-10+,20-16+,21-17+/t19-/m0/s1 |
| InChIKey | CRKWSNXPXJXAAZ-RQULPRBKSA-N |
| Mol Weight | 567.1 g/mol |
| Molecular Formula | C31H35ClN2O6 |
| Exact Mass | 566.218365 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9q1NENZOWPl |
|---|---|
| Name | CHINIKOMYCIN_B |
| Compound Number | 2B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H35ClN2O6 |
| InChI | InChI=1S/C31H35ClN2O6/c1-5-6-11-19(2)16-20(3)17-21(4)31(40)33-23-18-26(37)22(28(32)30(23)39)12-9-7-8-10-13-27(38)34-29-24(35)14-15-25(29)36/h7-10,12-13,16-19,35H,5-6,11,14-15H2,1-4H3,(H,33,40)(H,34,38)/b8-7+,12-9+,13-10+,20-16+,21-17+/t19-/m0/s1 |
| InChIKey | CRKWSNXPXJXAAZ-RQULPRBKSA-N |
| Literature Reference Author | F.LI,R.P.MASKEY,S.QIN,I.SATTLER,H.H.FIEBIG,A.MAIER,A.ZEECK,H .LAATSCH |
| Literature Reference Citation | J.NAT.PROD.,68,349(2005) |
| Literature Reference DOI | 10.1021/np030518r |
| Molecular Weight | 567.082 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ9126 |