| SpectraBase Compound ID | 1BpGYmGLstr |
|---|---|
| InChI | InChI=1S/C25H31ClO12/c1-34-13-5-2-12(3-6-13)4-7-16(28)36-11-25(33)17-14(18(29)22(25)26)8-9-35-23(17)38-24-21(32)20(31)19(30)15(10-27)37-24/h2-9,14-15,17-24,27,29-33H,10-11H2,1H3/b7-4-/t14-,15+,17-,18+,19+,20-,21+,22-,23+,24-,25+/m1/s1 |
| InChIKey | RCOKYHKVZAHTJQ-XIQJQZBJSA-N |
| Mol Weight | 558.96 g/mol |
| Molecular Formula | C25H31ClO12 |
| Exact Mass | 558.150404 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HqTrG4j5ziz |
|---|---|
| Name | 10-O-CIS-PARA-METHOXYCINNAMOYL-ASYSTASIOSIDE-E |
| Compound Number | 108 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H31ClO12 |
| InChI | InChI=1S/C25H31ClO12/c1-34-13-5-2-12(3-6-13)4-7-16(28)36-11-25(33)17-14(18(29)22(25)26)8-9-35-23(17)38-24-21(32)20(31)19(30)15(10-27)37-24/h2-9,14-15,17-24,27,29-33H,10-11H2,1H3/b7-4-/t14-,15+,17-,18+,19+,20-,21+,22-,23+,24-,25+/m1/s1 |
| InChIKey | RCOKYHKVZAHTJQ-XIQJQZBJSA-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 | 558.967 g/mol |
| Sample ID | 37904 |
| Solvent | CD3OD |