| SpectraBase Compound ID | KCQKKd0IIyV |
|---|---|
| InChI | InChI=1S/C21H36O9/c1-10-6-12(28-18-17(26)16(25)15(24)13(8-22)29-18)14-11(10)7-21(27)5-4-19(14,2)30-20(21,3)9-23/h10-18,22-27H,4-9H2,1-3H3/t10-,11-,12+,13+,14+,15+,16-,17+,18+,19+,20?,21-/m1/s1 |
| InChIKey | UHSAZSUXLKLAMZ-PPNHYTTOSA-N |
| Mol Weight | 432.5 g/mol |
| Molecular Formula | C21H36O9 |
| Exact Mass | 432.235933 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FcwvBU75SEy |
|---|---|
| Name | 2-ALPHA,7-ALPHA,12-TRIHYDROXYKESSANE-2-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H36O9 |
| InChI | InChI=1S/C21H36O9/c1-10-6-12(28-18-17(26)16(25)15(24)13(8-22)29-18)14-11(10)7-21(27)5-4-19(14,2)30-20(21,3)9-23/h10-18,22-27H,4-9H2,1-3H3/t10-,11-,12+,13+,14+,15+,16-,17+,18+,19+,20?,21-/m1/s1 |
| InChIKey | UHSAZSUXLKLAMZ-PPNHYTTOSA-N |
| Literature Reference Author | J.KITAJIMA,N.SUZUKI,Y.TANAKA |
| Literature Reference Citation | CHEM.PHARM.BULL.,46,1743(1998) |
| Literature Reference DOI | 10.1248/cpb.46.1743 |
| Molecular Weight | 432.511 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS20811 |