| SpectraBase Compound ID | JblRRXxqAbv |
|---|---|
| InChI | InChI=1S/C22H38O17/c1-2-3-11(25)35-7-22(19(33)14(28)9(5-24)38-22)39-21-18(32)16(30)13(27)10(37-21)6-34-20-17(31)15(29)12(26)8(4-23)36-20/h8-10,12-21,23-24,26-33H,2-7H2,1H3/t8-,9+,10-,12+,13-,14+,15+,16+,17-,18-,19-,20+,21-,22-/m0/s1 |
| InChIKey | KJEKDJZCPIEDEE-AOFMBRINSA-N |
| Mol Weight | 574.5 g/mol |
| Molecular Formula | C22H38O17 |
| Exact Mass | 574.2109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5vGjQHeX8fR |
|---|---|
| Name | 1-O-BUTANOYL-RAFFINOSE;MAJOR-PRODUCT;ALPHA-GALACTOPYRANOSYL-(1->6)-ALPHA-GLUCOPYRANOSYL-(1->2)-BETA-FRUCTOFURANOSE-BUTANOATE |
| Compound Number | 10A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H38O17 |
| InChI | InChI=1S/C22H38O17/c1-2-3-11(25)35-7-22(19(33)14(28)9(5-24)38-22)39-21-18(32)16(30)13(27)10(37-21)6-34-20-17(31)15(29)12(26)8(4-23)36-20/h8-10,12-21,23-24,26-33H,2-7H2,1H3/t8-,9+,10-,12+,13-,14+,15+,16+,17-,18-,19-,20+,21-,22-/m0/s1 |
| InChIKey | KJEKDJZCPIEDEE-AOFMBRINSA-N |
| Literature Reference Author | S.RIVA,M.NONINI,G.OTTOLINA,B.DANIELI |
| Literature Reference Citation | CARBOHYDR.RES.,314,259(1998) |
| Literature Reference DOI | 10.1016/S0008-6215(98)00320-6 |
| Molecular Weight | 574.534 g/mol |
| Solvent | D2O |
| Source File Reference | UWMZ3551 |