| SpectraBase Compound ID | CCNkkqH2r4S |
|---|---|
| InChI | InChI=1S/C49H76O20/c1-44(2)16-18-49(43(61)69-41-32(54)31(53)30(52)25(21-50)65-41)19-17-47(6)23(24(49)20-44)10-11-27-46(5)14-13-28(45(3,4)26(46)12-15-48(27,47)7)66-42-34(56)36(33(55)37(68-42)38(58)59)67-40(35(57)39(60)63-9)64-22-29(51)62-8/h10,24-28,30-37,40-42,50,52-57H,11-22H2,1-9H3,(H,58,59) |
| InChIKey | QREVWGPFOUVYSF-UHFFFAOYSA-N |
| Mol Weight | 985.1 g/mol |
| Molecular Formula | C49H76O20 |
| Exact Mass | 984.492995 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2srQmBKTId0 |
|---|---|
| Name | ACHYRANTHOSIDE_C_DIMETHYLESTER |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H76O20 |
| InChI | InChI=1S/C49H76O20/c1-44(2)16-18-49(43(61)69-41-32(54)31(53)30(52)25(21-50)65-41)19-17-47(6)23(24(49)20-44)10-11-27-46(5)14-13-28(45(3,4)26(46)12-15-48(27,47)7)66-42-34(56)36(33(55)37(68-42)38(58)59)67-40(35(57)39(60)63-9)64-22-29(51)62-8/h10,24-28,30-37,40-42,50,52-57H,11-22H2,1-9H3,(H,58,59) |
| InChIKey | QREVWGPFOUVYSF-UHFFFAOYSA-N |
| Literature Reference Author | J.X.LI,T.HAREYAMA,Y.TEZUKA,Y.ZHANG,T.MIYAHARA,S.KADOTA |
| Literature Reference Citation | PLANTA.MED.,71,673(2005) |
| Literature Reference DOI | 10.1055/s-2005-871275 |
| Molecular Weight | 985.130 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ47012 |