| SpectraBase Compound ID | ISAr3JDNj9S |
|---|---|
| InChI | InChI=1S/C25H32O12/c1-32-16-9-13-17(25(11-26)22(37-25)18(13)28)23(35-16)36-24-21(31)20(30)19(29)14(34-24)10-33-15(27)8-7-12-5-3-2-4-6-12/h2-8,13-14,16-24,26,28-31H,9-11H2,1H3/b8-7+/t13-,14+,16+,17-,18+,19+,20-,21+,22+,23+,24-,25-/m1/s1 |
| InChIKey | LJINOWWMMBQLLM-ZLWYKYGDSA-N |
| Mol Weight | 524.5 g/mol |
| Molecular Formula | C25H32O12 |
| Exact Mass | 524.189376 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6wN03oB9cfG |
|---|---|
| Name | PISCROSIDE-B;6'-O-(E)-CINNAMOYL-3-BETA-METHOXY-3,4-DIHYDRO-CATALPOL |
| Compound Number | 26 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H32O12 |
| InChI | InChI=1S/C25H32O12/c1-32-16-9-13-17(25(11-26)22(37-25)18(13)28)23(35-16)36-24-21(31)20(30)19(29)14(34-24)10-33-15(27)8-7-12-5-3-2-4-6-12/h2-8,13-14,16-24,26,28-31H,9-11H2,1H3/b8-7+/t13-,14+,16+,17-,18+,19+,20-,21+,22+,23+,24-,25-/m1/s1 |
| InChIKey | LJINOWWMMBQLLM-ZLWYKYGDSA-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 | 524.522 g/mol |
| Sample ID | 2626 |
| Solvent | CD3OD |