| SpectraBase Compound ID | 81NA2MELig1 |
|---|---|
| InChI | InChI=1S/C25H27ClO6/c1-12-5-6-17(27)13(2)9-14-18(28)10-15-20(21(14)29)22(30)16-11-19(26)24(3,4)32-25(16,8-7-12)23(15)31/h7,10-11,17,19,27-29H,2,5-6,8-9H2,1,3-4H3/b12-7+/t17-,19-,25-/m1/s1 |
| InChIKey | QNUSKIGTELENRX-PZXJSTGMSA-N |
| Mol Weight | 458.94 g/mol |
| Molecular Formula | C25H27ClO6 |
| Exact Mass | 458.149616 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kbe5t2oD525 |
|---|---|
| Name | NAPYRADIOMYCIN-3 |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H27ClO6 |
| InChI | InChI=1S/C25H27ClO6/c1-12-5-6-17(27)13(2)9-14-18(28)10-15-20(21(14)29)22(30)16-11-19(26)24(3,4)32-25(16,8-7-12)23(15)31/h7,10-11,17,19,27-29H,2,5-6,8-9H2,1,3-4H3/b12-7+/t17-,19-,25-/m1/s1 |
| InChIKey | QNUSKIGTELENRX-PZXJSTGMSA-N |
| Literature Reference Author | Y.B.CHENG,P.R.JENSEN,W.FENICAL |
| Literature Reference Citation | EUR.J.ORG.CHEM.,2013,3751(2013) |
| Literature Reference DOI | 10.1002/ejoc.201300349 |
| Molecular Weight | 458.939 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWBT18757 |