| SpectraBase Compound ID | JKpApAXLRv9 |
|---|---|
| InChI | InChI=1S/C28H31ClO10/c1-22-10-17-24(3)28-18(22)19(32)27(39-28,36-11-14(22)20(33)37-17)13-9-16(31)25(29)7-4-5-15(30)23(25,2)12(13)6-8-26(28,35)21(34)38-24/h4-5,12-14,16-18,31,35H,6-11H2,1-3H3/t12-,13+,14-,16+,17+,18+,22+,23-,24-,25-,26+,27-,28-/m0/s1 |
| InChIKey | YNEPXUIPALKHAU-CCJSEHNKSA-N |
| Mol Weight | 563.0 g/mol |
| Molecular Formula | C28H31ClO10 |
| Exact Mass | 562.160575 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IPebuGTxaYw |
|---|---|
| Name | PHYSALIN-H |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H31ClO10 |
| InChI | InChI=1S/C28H31ClO10/c1-22-10-17-24(3)28-18(22)19(32)27(39-28,36-11-14(22)20(33)37-17)13-9-16(31)25(29)7-4-5-15(30)23(25,2)12(13)6-8-26(28,35)21(34)38-24/h4-5,12-14,16-18,31,35H,6-11H2,1-3H3/t12-,13+,14-,16+,17+,18+,22+,23-,24-,25-,26+,27-,28-/m0/s1 |
| InChIKey | YNEPXUIPALKHAU-CCJSEHNKSA-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 | 563.001 g/mol |
| Sample ID | 46134 |
| Solvent | CD3OD |