| SpectraBase Compound ID | 6wau5uTcHRD |
|---|---|
| InChI | InChI=1S/C36H50N2O11/c1-7-46-36-13-12-35(5,49-36)30(48-31(42)11-9-25-16-38(6)20-37-25)15-27-23(17-39)8-10-26(21(2)3)28(27)14-24(36)18-44-34-33(47-22(4)40)32(43)29(41)19-45-34/h8-9,11-14,16,20-21,26-30,32-34,39,41,43H,7,10,15,17-19H2,1-6H3/b11-9+,24-14-/t26-,27+,28-,29-,30+,32-,33+,34-,35+,36-/m1/s1 |
| InChIKey | WGMACPOHVHGNET-GJELWXEWSA-N |
| Mol Weight | 686.8 g/mol |
| Molecular Formula | C36H50N2O11 |
| Exact Mass | 686.34146 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4LiuLK8iK9Z |
|---|---|
| Name | 17-HYDROXY-ELEUTHEROBIN-ETHYL-KETAL |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H50N2O11 |
| InChI | InChI=1S/C36H50N2O11/c1-7-46-36-13-12-35(5,49-36)30(48-31(42)11-9-25-16-38(6)20-37-25)15-27-23(17-39)8-10-26(21(2)3)28(27)14-24(36)18-44-34-33(47-22(4)40)32(43)29(41)19-45-34/h8-9,11-14,16,20-21,26-30,32-34,39,41,43H,7,10,15,17-19H2,1-6H3/b11-9+,24-14-/t26-,27+,28-,29-,30+,32-,33+,34-,35+,36-/m1/s1 |
| InChIKey | WGMACPOHVHGNET-GJELWXEWSA-N |
| Literature Reference Author | R.BRITTON,E.D.D.SILVA,C.M.BIGG,L.M.MCHARDY,M.ROBERGE,R.J.AND ERSEN |
| Literature Reference Citation | J.AM.CHEM.SOC.,123,8632(2001) |
| Literature Reference DOI | 10.1021/ja016459q |
| Molecular Weight | 686.800 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWVN30279 |