| SpectraBase Compound ID | EcrM9UlJxxl |
|---|---|
| InChI | InChI=1S/C22H27ClO12/c23-18-17(34-19(30)9-1-3-10(26)4-2-9)11-5-6-32-20(13(11)22(18,31)8-25)35-21-16(29)15(28)14(27)12(7-24)33-21/h1-6,11-18,20-21,24-29,31H,7-8H2/t11-,12+,13-,14+,15-,16+,17+,18-,20+,21-,22-/m1/s1 |
| InChIKey | SNUBRKSLBNMJES-QTEUSHBWSA-N |
| Mol Weight | 518.9 g/mol |
| Molecular Formula | C22H27ClO12 |
| Exact Mass | 518.119104 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IgO4Ui7aXmD |
|---|---|
| Name | 6-O-PARA-HYDROXYBENZOYL-ASYSTASIOSIDE |
| Compound Number | 97 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H27ClO12 |
| InChI | InChI=1S/C22H27ClO12/c23-18-17(34-19(30)9-1-3-10(26)4-2-9)11-5-6-32-20(13(11)22(18,31)8-25)35-21-16(29)15(28)14(27)12(7-24)33-21/h1-6,11-18,20-21,24-29,31H,7-8H2/t11-,12+,13-,14+,15-,16+,17+,18-,20+,21-,22-/m1/s1 |
| InChIKey | SNUBRKSLBNMJES-QTEUSHBWSA-N |
| Literature Reference Author | B.DINDA,S.DEBNATH,Y.HARIGAYA |
| Literature Reference Citation | CHEM.PHARM.BULL.,55,159(2007) |
| Literature Reference DOI | 10.1248/cpb.55.159 |
| Molecular Weight | 518.902 g/mol |
| Sample ID | 37894 |
| Solvent | CD3OD |