| SpectraBase Compound ID | JAXQrayKs1L |
|---|---|
| InChI | InChI=1S/C51H80O19/c1-10-11-22-64-41(61)39-36(57)38(68-44(40(59)60)65-25-32(53)63-9)37(58)43(69-39)67-31-15-16-48(6)29(47(31,4)5)14-17-50(8)30(48)13-12-26-27-23-46(2,3)18-20-51(27,21-19-49(26,50)7)45(62)70-42-35(56)34(55)33(54)28(24-52)66-42/h12,27-31,33-39,42-44,52,54-58H,10-11,13-25H2,1-9H3,(H,59,60) |
| InChIKey | SZEQSAPRFOQTFH-UHFFFAOYSA-N |
| Mol Weight | 997.2 g/mol |
| Molecular Formula | C51H80O19 |
| Exact Mass | 996.52938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FYWppYTE7JL |
|---|---|
| Name | ACHYRANTHOSIDE_E_BUTYL_METHYLESTER |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H80O19 |
| InChI | InChI=1S/C51H80O19/c1-10-11-22-64-41(61)39-36(57)38(68-44(40(59)60)65-25-32(53)63-9)37(58)43(69-39)67-31-15-16-48(6)29(47(31,4)5)14-17-50(8)30(48)13-12-26-27-23-46(2,3)18-20-51(27,21-19-49(26,50)7)45(62)70-42-35(56)34(55)33(54)28(24-52)66-42/h12,27-31,33-39,42-44,52,54-58H,10-11,13-25H2,1-9H3,(H,59,60) |
| InChIKey | SZEQSAPRFOQTFH-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 | 997.185 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ47015 |