| SpectraBase Compound ID | 82uIFmLSQ8a |
|---|---|
| InChI | InChI=1S/C28H31ClO9/c1-22-11-17-24(3)28-18(22)19(31)27(38-28,35-12-15(22)20(32)36-17)14-6-9-25(29)8-4-5-16(30)23(25,2)13(14)7-10-26(28,34)21(33)37-24/h4-5,13-15,17-18,34H,6-12H2,1-3H3/t13-,14+,15-,17+,18+,22+,23-,24-,25-,26+,27-,28-/m0/s1 |
| InChIKey | PECDGFVZFWOMJC-IQSAQCBASA-N |
| Mol Weight | 547.0 g/mol |
| Molecular Formula | C28H31ClO9 |
| Exact Mass | 546.16566 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JalzFzZtMsk |
|---|---|
| Name | 6-DEOXYPHYSALIN-H |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H31ClO9 |
| InChI | InChI=1S/C28H31ClO9/c1-22-11-17-24(3)28-18(22)19(31)27(38-28,35-12-15(22)20(32)36-17)14-6-9-25(29)8-4-5-16(30)23(25,2)13(14)7-10-26(28,34)21(33)37-24/h4-5,13-15,17-18,34H,6-12H2,1-3H3/t13-,14+,15-,17+,18+,22+,23-,24-,25-,26+,27-,28-/m0/s1 |
| InChIKey | PECDGFVZFWOMJC-IQSAQCBASA-N |
| Literature Reference Author | M.I.CHOUDHARY,S.YOUSUF,SAMREEN,S.A.A.SHAH,S.AHMED,A.U.RAHMAN |
| Literature Reference Citation | CHEM.PHARM.BULL.,54,927(2006) |
| Literature Reference DOI | 10.1248/cpb.54.927 |
| Molecular Weight | 547.002 g/mol |
| Sample ID | 46136 |
| Solvent | CDCl3 |