| SpectraBase Compound ID | 78g8ffwrBF8 |
|---|---|
| InChI | InChI=1S/C37H50O21/c1-50-20-7-4-17(11-19(20)41)9-10-52-37-34(58-36-32(49)30(47)27(44)23(14-39)55-36)33(57-35-31(48)29(46)26(43)22(13-38)54-35)28(45)24(56-37)15-53-25(42)8-5-16-3-6-18(40)21(12-16)51-2/h3-8,11-12,22-24,26-41,43-49H,9-10,13-15H2,1-2H3/b8-5+/t22-,23+,24-,26-,27+,28-,29+,30-,31-,32+,33+,34-,35+,36-,37-/m0/s1 |
| InChIKey | ABVGARAGGTXCEH-PHUNFURVSA-N |
| Mol Weight | 830.8 g/mol |
| Molecular Formula | C37H50O21 |
| Exact Mass | 830.284459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JzYJJND6WBZ |
|---|---|
| Name | ISOCHIONOSIDE-I |
| Compound Number | 26 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H50O21 |
| InChI | InChI=1S/C37H50O21/c1-50-20-7-4-17(11-19(20)41)9-10-52-37-34(58-36-32(49)30(47)27(44)23(14-39)55-36)33(57-35-31(48)29(46)26(43)22(13-38)54-35)28(45)24(56-37)15-53-25(42)8-5-16-3-6-18(40)21(12-16)51-2/h3-8,11-12,22-24,26-41,43-49H,9-10,13-15H2,1-2H3/b8-5+/t22-,23+,24-,26-,27+,28-,29+,30-,31-,32+,33+,34-,35+,36-,37-/m0/s1 |
| InChIKey | ABVGARAGGTXCEH-PHUNFURVSA-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 | 830.791 g/mol |
| Source File Reference | UWBT3664 |