| SpectraBase Compound ID | LUqdTs7c75r |
|---|---|
| InChI | InChI=1S/C28H30O14/c1-9-21(33)24(36)27(42-28-25(37)23(35)20(32)10(2)40-28)26(39-9)19-14(31)8-17-18(22(19)34)13(30)7-16(41-17)11-4-5-15(38-3)12(29)6-11/h4-10,20-21,23,25-29,31-35,37H,1-3H3/t9-,10-,20-,21-,23+,25+,26?,27-,28-/m1/s1 |
| InChIKey | CIQAFMGHGPCUFZ-QEKKNGEVSA-N |
| Mol Weight | 590.53 g/mol |
| Molecular Formula | C28H30O14 |
| Exact Mass | 590.163556 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3R59y1BrXlp |
|---|---|
| Name | CASSIAOCCIDENTALIN-C |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H30O14 |
| InChI | InChI=1S/C28H30O14/c1-9-21(33)24(36)27(42-28-25(37)23(35)20(32)10(2)40-28)26(39-9)19-14(31)8-17-18(22(19)34)13(30)7-16(41-17)11-4-5-15(38-3)12(29)6-11/h4-10,20-21,23,25-29,31-35,37H,1-3H3/t9-,10-,20-,21-,23+,25+,26?,27-,28-/m1/s1 |
| InChIKey | CIQAFMGHGPCUFZ-QEKKNGEVSA-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 | 590.538 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWVN62 |