| SpectraBase Compound ID | KshcDbWEdgU |
|---|---|
| InChI | InChI=1S/C27H42O12/c1-14(2)8-20(30)38-22(16(5)6)24(32)35-11-18-12-36-25(39-21(31)9-15(3)4)23-26(18,33)10-19(29)27(23,34)13-37-17(7)28/h12,14-16,19,22-23,25,29,33-34H,8-11,13H2,1-7H3/t19-,22?,23-,25-,26-,27-/m0/s1 |
| InChIKey | LUDMVJVLHCEECS-XPVIXRIASA-N |
| Mol Weight | 558.6 g/mol |
| Molecular Formula | C27H42O12 |
| Exact Mass | 558.267627 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 3wegZ3MxJsv |
|---|---|
| Name | VALERIOTRIATE-B |
| Compound Number | 158 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H42O12 |
| InChI | InChI=1S/C27H42O12/c1-14(2)8-20(30)38-22(16(5)6)24(32)35-11-18-12-36-25(39-21(31)9-15(3)4)23-26(18,33)10-19(29)27(23,34)13-37-17(7)28/h12,14-16,19,22-23,25,29,33-34H,8-11,13H2,1-7H3/t19-,22?,23-,25-,26-,27-/m0/s1 |
| InChIKey | LUDMVJVLHCEECS-XPVIXRIASA-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 | 558.623 g/mol |
| Sample ID | 2756 |
| Solvent | ACETONE-D6 |