| SpectraBase Compound ID | Ieen6nclmi1 |
|---|---|
| InChI | InChI=1S/C23H29ClO13/c1-33-12-6-9(2-3-11(12)27)20(31)36-18-10-4-5-34-21(14(10)23(32,8-26)19(18)24)37-22-17(30)16(29)15(28)13(7-25)35-22/h2-6,10,13-19,21-22,25-30,32H,7-8H2,1H3/t10-,13+,14-,15+,16-,17+,18+,19-,21+,22-,23-/m1/s1 |
| InChIKey | QFDFCPCBJGYVSU-PMKGUAFBSA-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 | 9KIdE0lwxL9 |
|---|---|
| Name | URPHOSIDE-B |
| Compound Number | 100 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C23H29ClO13 |
| InChI | InChI=1S/C23H29ClO13/c1-33-12-6-9(2-3-11(12)27)20(31)36-18-10-4-5-34-21(14(10)23(32,8-26)19(18)24)37-22-17(30)16(29)15(28)13(7-25)35-22/h2-6,10,13-19,21-22,25-30,32H,7-8H2,1H3/t10-,13+,14-,15+,16-,17+,18+,19-,21+,22-,23-/m1/s1 |
| InChIKey | QFDFCPCBJGYVSU-PMKGUAFBSA-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 | 548.928 g/mol |
| Sample ID | 37897 |
| Solvent | CD3OD |