| SpectraBase Compound ID | 5YHuA7hJ00u |
|---|---|
| InChI | InChI=1S/C39H60N8O11S/c1-8-21(4)31-37(55)44-30(20(2)3)36(54)40-19-29(50)42-27(18-24-11-13-25(49)14-12-24)39(57)47-16-9-10-28(47)35(53)43-26(15-17-59(7)58)34(52)46-32(23(6)48)38(56)41-22(5)33(51)45-31/h11-14,20-23,26-28,30-32,48-49H,8-10,15-19H2,1-7H3,(H,40,54)(H,41,56)(H,42,50)(H,43,53)(H,44,55)(H,45,51)(H,46,52) |
| InChIKey | SDEJQSNUZMBZBP-UHFFFAOYSA-N |
| Mol Weight | 849.0 g/mol |
| Molecular Formula | C39H60N8O11S |
| Exact Mass | 848.410226 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5oB5XThNJoo |
|---|---|
| Name | ANNOSQUAMOSIN-A;CYClO-(PROLYL-S-OXOMETHYL-THRYL-ALANYL-ISOLEUCYL-VALYL-GLYCYL-TYRYL) |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H60N8O11S |
| InChI | InChI=1S/C39H60N8O11S/c1-8-21(4)31-37(55)44-30(20(2)3)36(54)40-19-29(50)42-27(18-24-11-13-25(49)14-12-24)39(57)47-16-9-10-28(47)35(53)43-26(15-17-59(7)58)34(52)46-32(23(6)48)38(56)41-22(5)33(51)45-31/h11-14,20-23,26-28,30-32,48-49H,8-10,15-19H2,1-7H3,(H,40,54)(H,41,56)(H,42,50)(H,43,53)(H,44,55)(H,45,51)(H,46,52) |
| InChIKey | SDEJQSNUZMBZBP-UHFFFAOYSA-N |
| Literature Reference Author | L.CHAO-MING,T.NING-HUA,M.QING,Z.HUI-LAN,H.XIAO-JIANG,W.YU,Z. JUN |
| Literature Reference Citation | PHYTOCHEM.,45,521(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(96)00829-1 |
| Molecular Weight | 849.012 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWSP1411 |