| SpectraBase Compound ID | KEOxRa0voJI |
|---|---|
| InChI | InChI=1S/C34H40N6O8S4/c1-37-27(47)33(51-5)21(43)31(17-11-7-9-13-19(17)35-23(31)39(33)25(45)29(37,15-41)49-3)32-18-12-8-10-14-20(18)36-24(32)40-26(46)30(16-42,50-4)38(2)28(48)34(40,52-6)22(32)44/h7-14,21-24,35-36,41-44H,15-16H2,1-6H3/t21-,22-,23+,24+,29-,30-,31+,32?,33-,34-/m0/s1 |
| InChIKey | VNGGJOJJOWAMMM-GOBDJBKVSA-N |
| Mol Weight | 789.0 g/mol |
| Molecular Formula | C34H40N6O8S4 |
| Exact Mass | 788.179047 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8Gh2DmXzszb |
|---|---|
| Name | CHETRACIN_D;MAJOR_CONFORMER |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H40N6O8S4 |
| InChI | InChI=1S/C34H40N6O8S4/c1-37-27(47)33(51-5)21(43)31(17-11-7-9-13-19(17)35-23(31)39(33)25(45)29(37,15-41)49-3)32-18-12-8-10-14-20(18)36-24(32)40-26(46)30(16-42,50-4)38(2)28(48)34(40,52-6)22(32)44/h7-14,21-24,35-36,41-44H,15-16H2,1-6H3/t21-,22-,23+,24+,29-,30-,31+,32?,33-,34-/m0/s1 |
| InChIKey | VNGGJOJJOWAMMM-GOBDJBKVSA-N |
| Literature Reference Author | L.LI,D.LI,Y.LUAN,Q.GU,T.ZHU |
| Literature Reference Citation | J.NAT.PROD.,75,920(2012) |
| Literature Reference DOI | 10.1021/np3000443 |
| Molecular Weight | 788.967 g/mol |
| Sample ID | 40416 |
| Solvent | DMSO-D6 |