| SpectraBase Compound ID | BlBeBcR7TX0 |
|---|---|
| InChI | InChI=1S/C35H46O12/c1-17-11-27(44-18(2)36)31(46-20(4)38)32(43-17)47-26-13-22-7-8-24-30(33(22,5)15-28(26)45-19(3)37)25(39)14-34(6)23(9-10-35(24,34)41)21-12-29(40)42-16-21/h9,12,17,22,24,26-28,30-32,41H,7-8,10-11,13-16H2,1-6H3/t17-,22+,24+,26+,27-,28+,30+,31-,32+,33-,34+,35-/m0/s1 |
| InChIKey | QWIJFAPKRJNTHG-OEBUXNPOSA-N |
| Mol Weight | 658.7 g/mol |
| Molecular Formula | C35H46O12 |
| Exact Mass | 658.298927 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KgbCrpZ0mGt |
|---|---|
| Name | AFFINOSIDE-S-VIII-1,(2-ALPHA,2',3'-TRIACETAT,3-BETA-O-(4',6'-DIDESOXYGULOSID),5-BETA-H) |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H46O12 |
| InChI | InChI=1S/C35H46O12/c1-17-11-27(44-18(2)36)31(46-20(4)38)32(43-17)47-26-13-22-7-8-24-30(33(22,5)15-28(26)45-19(3)37)25(39)14-34(6)23(9-10-35(24,34)41)21-12-29(40)42-16-21/h9,12,17,22,24,26-28,30-32,41H,7-8,10-11,13-16H2,1-6H3/t17-,22+,24+,26+,27-,28+,30+,31-,32+,33-,34+,35-/m0/s1 |
| InChIKey | QWIJFAPKRJNTHG-OEBUXNPOSA-N |
| Literature Reference Author | F.ABE,T.YAMAUCHI |
| Literature Reference Citation | CHEM.PHARM.BULL.,31,1199(1983) |
| Literature Reference DOI | 10.1248/cpb.31.1199 |
| Molecular Weight | 658.743 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UNIW17193 |