| SpectraBase Compound ID | 56is2kADgUt |
|---|---|
| InChI | InChI=1S/C25H30O16/c1-9(26)36-19-14-8-34-16(29)6-17(30)40-15-5-12-13(22(31)32)7-35-23(18(12)25(15,4)33)41-24(39-14)21(38-11(3)28)20(19)37-10(2)27/h7,12,14-15,18-21,23-24,33H,5-6,8H2,1-4H3,(H,31,32)/t12-,14-,15+,18-,19-,20+,21-,23+,24+,25+/m1/s1 |
| InChIKey | DDUKIWLYSNUVRY-HJHWKIIWSA-N |
| Mol Weight | 586.5 g/mol |
| Molecular Formula | C25H30O16 |
| Exact Mass | 586.153385 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C0BNgtgm60f |
|---|---|
| Name | 7-O-(6'-O-MALONYL)-CACHINESIDIC-ACID-TRIACETATE;8-HYDROXY-8-EPI-LOGANIC-ACID-MALONICESTER-TRIACETATE |
| Compound Number | 180 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H30O16 |
| InChI | InChI=1S/C25H30O16/c1-9(26)36-19-14-8-34-16(29)6-17(30)40-15-5-12-13(22(31)32)7-35-23(18(12)25(15,4)33)41-24(39-14)21(38-11(3)28)20(19)37-10(2)27/h7,12,14-15,18-21,23-24,33H,5-6,8H2,1-4H3,(H,31,32)/t12-,14-,15+,18-,19-,20+,21-,23+,24+,25+/m1/s1 |
| InChIKey | DDUKIWLYSNUVRY-HJHWKIIWSA-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 | 586.504 g/mol |
| Sample ID | 37976 |
| Solvent | ACETONE-D6 |