| SpectraBase Compound ID | 2KYQp9YGKt0 |
|---|---|
| InChI | InChI=1S/C22H30O14/c1-32-12-6-10(2-4-11(12)25)3-5-15(26)33-8-14-16(27)18(29)19(30)21(34-14)36-22(9-24)20(31)17(28)13(7-23)35-22/h2-6,13-14,16-21,23-25,27-31H,7-9H2,1H3/b5-3+/t13-,14+,16+,17-,18-,19+,20+,21+,22+/m0/s1 |
| InChIKey | XMBZZLUIFFOAHR-WRMIOUNWSA-N |
| Mol Weight | 518.47 g/mol |
| Molecular Formula | C22H30O14 |
| Exact Mass | 518.163556 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FhyTEAyKXev |
|---|---|
| Name | ACRETOSIDE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H30O14 |
| InChI | InChI=1S/C22H30O14/c1-32-12-6-10(2-4-11(12)25)3-5-15(26)33-8-14-16(27)18(29)19(30)21(34-14)36-22(9-24)20(31)17(28)13(7-23)35-22/h2-6,13-14,16-21,23-25,27-31H,7-9H2,1H3/b5-3+/t13-,14+,16+,17-,18-,19+,20+,21+,22+/m0/s1 |
| InChIKey | XMBZZLUIFFOAHR-WRMIOUNWSA-N |
| Literature Reference Author | B.CHEN,N.WANG,J.HUANG,X.YAO |
| Literature Reference Citation | AS.J.TRAD.MED.,2,118(2007) |
| Molecular Weight | 518.472 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU81244 |