| SpectraBase Compound ID | K9VWQupz2AS |
|---|---|
| InChI | InChI=1S/C27H32O13/c1-35-11-14-9-17(38-19(30)8-5-13-3-6-15(29)7-4-13)21-16(25(34)36-2)12-37-26(20(14)21)40-27-24(33)23(32)22(31)18(10-28)39-27/h3-9,12,17-18,20-24,26-29,31-33H,10-11H2,1-2H3/b8-5+/t17-,18+,20-,21+,22+,23-,24+,26+,27-/m1/s1 |
| InChIKey | HTZKOYZYQWXCEV-HWLUJQDBSA-N |
| Mol Weight | 564.5 g/mol |
| Molecular Formula | C27H32O13 |
| Exact Mass | 564.184291 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IjmmGt0J3lr |
|---|---|
| Name | (E)-6-O-PARA-COUMAROYL-SCANDOSIDE-METHYLESTER-10-METHYLETHER |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H32O13 |
| InChI | InChI=1S/C27H32O13/c1-35-11-14-9-17(38-19(30)8-5-13-3-6-15(29)7-4-13)21-16(25(34)36-2)12-37-26(20(14)21)40-27-24(33)23(32)22(31)18(10-28)39-27/h3-9,12,17-18,20-24,26-29,31-33H,10-11H2,1-2H3/b8-5+/t17-,18+,20-,21+,22+,23-,24+,26+,27-/m1/s1 |
| InChIKey | HTZKOYZYQWXCEV-HWLUJQDBSA-N |
| Literature Reference Author | Z.T.LIANG,Z.H.JIANG,K.S.Y.LEUNG,Z.Z.ZHAO |
| Literature Reference Citation | CHEM.PHARM.BULL.,54,1131(2006) |
| Literature Reference DOI | 10.1248/cpb.54.1131 |
| Molecular Weight | 564.543 g/mol |
| Sample ID | 36957 |
| Solvent | Unknown |