| SpectraBase Compound ID | 6bLDQ36g6LX |
|---|---|
| InChI | InChI=1S/C48H80O18/c1-45-16-14-17-46(2,30(45)15-18-48-20-25-19-26(40(45)48)66-47(25,3)24-48)44(49)65-43-39(64-42-38(59-13)35(57-11)32(54-8)28(61-42)22-51-5)36(33(55-9)29(62-43)23-52-6)63-41-37(58-12)34(56-10)31(53-7)27(60-41)21-50-4/h25-43H,14-24H2,1-13H3/t25-,26-,27-,28+,29-,30-,31-,32+,33-,34+,35-,36+,37-,38+,39-,40?,41+,42-,43+,45+,46+,47+,48-/m0/s1 |
| InChIKey | QFTNDOIQDKIFFW-DUJOMXTKSA-N |
| Mol Weight | 945.1 g/mol |
| Molecular Formula | C48H80O18 |
| Exact Mass | 944.534466 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4e6neouQo7N |
|---|---|
| Name | SUBPUESCENSOSIDE_PERMETHYLATE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H80O18 |
| InChI | InChI=1S/C48H80O18/c1-45-16-14-17-46(2,30(45)15-18-48-20-25-19-26(40(45)48)66-47(25,3)24-48)44(49)65-43-39(64-42-38(59-13)35(57-11)32(54-8)28(61-42)22-51-5)36(33(55-9)29(62-43)23-52-6)63-41-37(58-12)34(56-10)31(53-7)27(60-41)21-50-4/h25-43H,14-24H2,1-13H3/t25-,26-,27-,28+,29-,30-,31-,32+,33-,34+,35-,36+,37-,38+,39-,40?,41+,42-,43+,45+,46+,47+,48-/m0/s1 |
| InChIKey | QFTNDOIQDKIFFW-DUJOMXTKSA-N |
| Literature Reference Author | L.U.ROMAN,J.M.TORRES,R.REYES,J.D.HERNANDEZ,C.M.CERDA-GARCIA- ROJAS,P.JOSEPH-NATHA |
| Literature Reference Citation | PHYTOCHEM.,39,1133(1995) |
| Literature Reference DOI | 10.1016/0031-9422(95)00063-D |
| Molecular Weight | 945.152 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ7719 |