| SpectraBase Compound ID | Gc2QALmY7d |
|---|---|
| InChI | InChI=1S/C27H32O14/c1-12(29)41-27(2)9-16(38-18(31)8-5-13-3-6-14(30)7-4-13)19-15(24(35)36)11-37-25(20(19)27)40-26-23(34)22(33)21(32)17(10-28)39-26/h3-8,11,16-17,19-23,25-26,28,30,32-34H,9-10H2,1-2H3,(H,35,36)/b8-5+/t16-,17+,19+,20-,21+,22-,23+,25+,26-,27+/m1/s1 |
| InChIKey | XORDQNURMWOOGO-PICJIRJBSA-N |
| Mol Weight | 580.5 g/mol |
| Molecular Formula | C27H32O14 |
| Exact Mass | 580.179206 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5wKVImhyIXt |
|---|---|
| Name | 8-O-ACETYL-6-O-TRANS-PARA-COUMAROYL-SHANZHISIDE |
| Compound Number | 182 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H32O14 |
| InChI | InChI=1S/C27H32O14/c1-12(29)41-27(2)9-16(38-18(31)8-5-13-3-6-14(30)7-4-13)19-15(24(35)36)11-37-25(20(19)27)40-26-23(34)22(33)21(32)17(10-28)39-26/h3-8,11,16-17,19-23,25-26,28,30,32-34H,9-10H2,1-2H3,(H,35,36)/b8-5+/t16-,17+,19+,20-,21+,22-,23+,25+,26-,27+/m1/s1 |
| InChIKey | XORDQNURMWOOGO-PICJIRJBSA-N |
| Literature Reference Author | B.DINDA,S.DEBNATH,Y.HARIGAYA |
| Literature Reference Citation | CHEM.PHARM.BULL.,55,159(2007) |
| Literature Reference DOI | 10.1248/cpb.55.159 |
| Molecular Weight | 580.543 g/mol |
| Sample ID | 37978 |
| Solvent | CD3OD |