| SpectraBase Compound ID | GNkBFPDY9Tg |
|---|---|
| InChI | InChI=1S/C22H31ClO8/c1-12(2)6-18(25)28-9-15-10-29-21(31-19(26)7-13(3)4)20-16(15)8-17(30-14(5)24)22(20,27)11-23/h8,10,12-13,17,20-21,27H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1 |
| InChIKey | QJRWKLJFMYNELF-KVJIRVJXSA-N |
| Mol Weight | 458.94 g/mol |
| Molecular Formula | C22H31ClO8 |
| Exact Mass | 458.170746 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | INysZptdq0M |
|---|---|
| Name | RUPESIN-B |
| Compound Number | 162 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H31ClO8 |
| InChI | InChI=1S/C22H31ClO8/c1-12(2)6-18(25)28-9-15-10-29-21(31-19(26)7-13(3)4)20-16(15)8-17(30-14(5)24)22(20,27)11-23/h8,10,12-13,17,20-21,27H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1 |
| InChIKey | QJRWKLJFMYNELF-KVJIRVJXSA-N |
| Literature Reference Author | B.DINDA,D.R.CHOWDHURY,B.C.MOHANTA |
| Literature Reference Citation | CHEM.PHARM.BULL.,57,765(2009) |
| Literature Reference DOI | 10.1248/cpb.57.765 |
| Molecular Weight | 458.936 g/mol |
| Sample ID | 2760 |
| Solvent | CDCl3 |