| SpectraBase Compound ID | 5tNVprEWg0t |
|---|---|
| InChI | InChI=1S/C42H46O20/c1-54-28-16-22(4-10-25(28)45)7-13-33(48)57-20-32-39(59-34(49)14-8-23-5-11-26(46)29(17-23)55-2)40(60-35(50)15-9-24-6-12-27(47)30(18-24)56-3)42(21-44,61-32)62-41-38(53)37(52)36(51)31(19-43)58-41/h4-18,31-32,36-41,43-47,51-53H,19-21H2,1-3H3/b13-7+,14-8+,15-9+/t31-,32+,36-,37+,38-,39+,40-,41+,42-/m0/s1 |
| InChIKey | QKDVORUGRIVQPJ-TWABWQTASA-N |
| Mol Weight | 870.8 g/mol |
| Molecular Formula | C42H46O20 |
| Exact Mass | 870.258244 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IBusHdQSQgW |
|---|---|
| Name | SUCROSYL-FERULIC-ACIDESTER |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H46O20 |
| InChI | InChI=1S/C42H46O20/c1-54-28-16-22(4-10-25(28)45)7-13-33(48)57-20-32-39(59-34(49)14-8-23-5-11-26(46)29(17-23)55-2)40(60-35(50)15-9-24-6-12-27(47)30(18-24)56-3)42(21-44,61-32)62-41-38(53)37(52)36(51)31(19-43)58-41/h4-18,31-32,36-41,43-47,51-53H,19-21H2,1-3H3/b13-7+,14-8+,15-9+/t31-,32+,36-,37+,38-,39+,40-,41+,42-/m0/s1 |
| InChIKey | QKDVORUGRIVQPJ-TWABWQTASA-N |
| Literature Reference Author | J.LI,X.BI,G.ZHENG,Y.HITOSHI,T.IKEDA,T.NOHARA |
| Literature Reference Citation | CHEM.PHARM.BULL.,54,1451(2006) |
| Literature Reference DOI | 10.1248/cpb.54.1451 |
| Molecular Weight | 870.815 g/mol |
| Sample ID | 55283 |
| Solvent | CD3OD |