| SpectraBase Compound ID | 1davtjNLQb2 |
|---|---|
| InChI | InChI=1S/C36H48O21/c1-50-20-6-3-16(11-19(20)41)8-9-51-36-33(57-35-31(49)29(47)26(44)22(13-38)54-35)32(56-34-30(48)28(46)25(43)21(12-37)53-34)27(45)23(55-36)14-52-24(42)7-4-15-2-5-17(39)18(40)10-15/h2-7,10-11,21-23,25-41,43-49H,8-9,12-14H2,1H3/b7-4+/t21-,22+,23-,25-,26+,27-,28+,29-,30-,31+,32+,33-,34+,35-,36-/m0/s1 |
| InChIKey | XXACSNRQSJYKGL-QCGWAOTDSA-N |
| Mol Weight | 816.8 g/mol |
| Molecular Formula | C36H48O21 |
| Exact Mass | 816.268809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9ffEU9XtscG |
|---|---|
| Name | ISOCHIONOSIDE-G |
| Compound Number | 24 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H48O21 |
| InChI | InChI=1S/C36H48O21/c1-50-20-6-3-16(11-19(20)41)8-9-51-36-33(57-35-31(49)29(47)26(44)22(13-38)54-35)32(56-34-30(48)28(46)25(43)21(12-37)53-34)27(45)23(55-36)14-52-24(42)7-4-15-2-5-17(39)18(40)10-15/h2-7,10-11,21-23,25-41,43-49H,8-9,12-14H2,1H3/b7-4+/t21-,22+,23-,25-,26+,27-,28+,29-,30-,31+,32+,33-,34+,35-,36-/m0/s1 |
| InChIKey | XXACSNRQSJYKGL-QCGWAOTDSA-N |
| Literature Reference Author | R.M.TASKOVA,T.KOKUBUN,K.G.RYAN,P.J.GARNOCK-JONES,S.R.JENSEN |
| Literature Reference Citation | CHEM.PHARM.BULL.,58,703(2010) |
| Literature Reference DOI | 10.1248/cpb.58.703 |
| Molecular Weight | 816.765 g/mol |
| Source File Reference | UWBT3663 |