| SpectraBase Compound ID | 3f7o5QQPlBj |
|---|---|
| InChI | InChI=1S/C23H29ClO13/c1-32-11-4-8(2-3-10(11)26)20(30)36-18-9-5-13-33-7-23(31,19(18)24)14(9)21(35-13)37-22-17(29)16(28)15(27)12(6-25)34-22/h2-4,9,12-19,21-22,25-29,31H,5-7H2,1H3/t9-,12+,13+,14-,15+,16-,17+,18+,19-,21+,22-,23-/m1/s1 |
| InChIKey | OFCHERKLMXQQJW-PSGRXILQSA-N |
| Mol Weight | 548.93 g/mol |
| Molecular Formula | C23H29ClO13 |
| Exact Mass | 548.129669 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9ZWAaGEKvQH |
|---|---|
| Name | PISCROSIDE-A;7-DEOXY-7-ALPHA-CHLORO-PIKUROSIDE |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C23H29ClO13 |
| InChI | InChI=1S/C23H29ClO13/c1-32-11-4-8(2-3-10(11)26)20(30)36-18-9-5-13-33-7-23(31,19(18)24)14(9)21(35-13)37-22-17(29)16(28)15(27)12(6-25)34-22/h2-4,9,12-19,21-22,25-29,31H,5-7H2,1H3/t9-,12+,13+,14-,15+,16-,17+,18+,19-,21+,22-,23-/m1/s1 |
| InChIKey | OFCHERKLMXQQJW-PSGRXILQSA-N |
| Literature Reference Author | H.WANG,F.H.WU,F.XIONG,J.J.WU,L.Y.ZHANG,W.C.YE,P.LI,S.X.ZHAO |
| Literature Reference Citation | CHEM.PHARM.BULL.,54,1144(2006) |
| Literature Reference DOI | 10.1248/cpb.54.1144 |
| Molecular Weight | 548.928 g/mol |
| Sample ID | 36954 |
| Solvent | CD3OD |