| SpectraBase Compound ID | 6jlC7MRbrcl |
|---|---|
| InChI | InChI=1S/C27H28O13/c1-9-20(32)23(35)26(40-27-24(36)22(34)19(31)10(2)38-27)25(37-9)18-14(30)8-16-17(21(18)33)13(29)7-15(39-16)11-3-5-12(28)6-4-11/h3-10,19-20,22,24-28,30-34,36H,1-2H3/t9-,10-,19-,20-,22+,24+,25+,26-,27-/m0/s1 |
| InChIKey | KCQFNIYRJNSNLG-MTJGCPMUSA-N |
| Mol Weight | 560.51 g/mol |
| Molecular Formula | C27H28O13 |
| Exact Mass | 560.152991 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B0HkR5wJXIZ |
|---|---|
| Name | CASSIAOCCIDENTALIN-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H28O13 |
| InChI | InChI=1S/C27H28O13/c1-9-20(32)23(35)26(40-27-24(36)22(34)19(31)10(2)38-27)25(37-9)18-14(30)8-16-17(21(18)33)13(29)7-15(39-16)11-3-5-12(28)6-4-11/h3-10,19-20,22,24-28,30-34,36H,1-2H3/t9-,10-,19-,20-,22+,24+,25+,26-,27-/m0/s1 |
| InChIKey | KCQFNIYRJNSNLG-MTJGCPMUSA-N |
| Literature Reference Author | T.HATANO,S.MIZUTA,H.ITO,T.YOSHIDA |
| Literature Reference Citation | PHYTOCHEM.,52,1379(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(99)00437-9 |
| Molecular Weight | 560.512 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWVN60 |