| SpectraBase Compound ID | 3Yn3c3HIZ2M |
|---|---|
| InChI | InChI=1S/C44H52O23/c1-59-29-16-21(4-9-25(29)48)5-10-32(52)61-19-31-35(55)36(56)38(58)43(64-31)66-40-39(65-33(53)11-6-20-2-7-23(46)26(49)14-20)30(17-45)63-44(60-13-12-22-3-8-24(47)27(50)15-22)41(40)67-42-37(57)34(54)28(51)18-62-42/h2-11,14-16,28,30-31,34-51,54-58H,12-13,17-19H2,1H3/b10-5+,11-6+/t28-,30-,31-,34-,35-,36+,37+,38-,39-,40+,41-,42-,43+,44-/m1/s1 |
| InChIKey | YRWQLJBYLFCVNM-FRWBDNRHSA-N |
| Mol Weight | 948.9 g/mol |
| Molecular Formula | C44H52O23 |
| Exact Mass | 948.289938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5S4PGsgWLJp |
|---|---|
| Name | CHIONOSIDE-C;6''-O-FERULOYL-ARAGOSIDE |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H52O23 |
| InChI | InChI=1S/C44H52O23/c1-59-29-16-21(4-9-25(29)48)5-10-32(52)61-19-31-35(55)36(56)38(58)43(64-31)66-40-39(65-33(53)11-6-20-2-7-23(46)26(49)14-20)30(17-45)63-44(60-13-12-22-3-8-24(47)27(50)15-22)41(40)67-42-37(57)34(54)28(51)18-62-42/h2-11,14-16,28,30-31,34-51,54-58H,12-13,17-19H2,1H3/b10-5+,11-6+/t28-,30-,31-,34-,35-,36+,37+,38-,39-,40+,41-,42-,43+,44-/m1/s1 |
| InChIKey | YRWQLJBYLFCVNM-FRWBDNRHSA-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 | 948.883 g/mol |
| Source File Reference | UWBT3653 |