| SpectraBase Compound ID | 7G2fZum9WNc |
|---|---|
| InChI | InChI=1S/C22H27ClO13/c23-18-17(35-19(31)8-1-2-10(26)11(27)5-8)9-3-4-33-20(13(9)22(18,32)7-25)36-21-16(30)15(29)14(28)12(6-24)34-21/h1-5,9,12-18,20-21,24-30,32H,6-7H2/t9?,12-,13?,14-,15+,16-,17-,18+,20-,21+,22+/m0/s1 |
| InChIKey | MTRQBGBLTPNJPL-ULFLYSGPSA-N |
| Mol Weight | 534.9 g/mol |
| Molecular Formula | C22H27ClO13 |
| Exact Mass | 534.114019 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ELzcCSrIaKA |
|---|---|
| Name | LONGIFOLIOSIDE_A;ASYSTASIOSIDE_E_6-O-(3,4-DIHYDROXYBENZOYL)-ESTER |
| Compound Number | 6A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H27ClO13 |
| InChI | InChI=1S/C22H27ClO13/c23-18-17(35-19(31)8-1-2-10(26)11(27)5-8)9-3-4-33-20(13(9)22(18,32)7-25)36-21-16(30)15(29)14(28)12(6-24)34-21/h1-5,9,12-18,20-21,24-30,32H,6-7H2/t9?,12-,13?,14-,15+,16-,17-,18+,20-,21+,22+/m0/s1 |
| InChIKey | MTRQBGBLTPNJPL-ULFLYSGPSA-N |
| Literature Reference Author | S.R.JENSEN,C.H.GOTFREDSEN,U.S.HARPUT,I.SARACOGLU |
| Literature Reference Citation | J.NAT.PROD.,73,1593(2010) |
| Literature Reference DOI | 10.1021/np100366k |
| Molecular Weight | 534.902 g/mol |
| Sample ID | 36191 |
| Solvent | CD3OD |