| SpectraBase Compound ID | Gi6b0m8S7Mg |
|---|---|
| InChI | InChI=1S/C30H48O3/c1-19(8-7-9-20(2)25(32)33)21-12-14-28(6)23-11-10-22-26(3,4)24(31)13-15-29(22)18-30(23,29)17-16-27(21,28)5/h9,19,21-24,31H,7-8,10-18H2,1-6H3,(H,32,33)/b20-9+/t19?,21-,22?,23?,24-,27-,28+,29-,30+/m1/s1 |
| InChIKey | CYHOTEDWAOHQLA-QHHCYHNFSA-N |
| Mol Weight | 456.7 g/mol |
| Molecular Formula | C30H48O3 |
| Exact Mass | 456.360345 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 68HU0AiMX89 |
|---|---|
| Name | ISOMANGIFEROLIC-ACID |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H48O3 |
| InChI | InChI=1S/C30H48O3/c1-19(8-7-9-20(2)25(32)33)21-12-14-28(6)23-11-10-22-26(3,4)24(31)13-15-29(22)18-30(23,29)17-16-27(21,28)5/h9,19,21-24,31H,7-8,10-18H2,1-6H3,(H,32,33)/b20-9+/t19?,21-,22?,23?,24-,27-,28+,29-,30+/m1/s1 |
| InChIKey | CYHOTEDWAOHQLA-QHHCYHNFSA-N |
| Literature Reference Author | A.H.JANUARIO,M.F.D.G.F.D.SILVA,P.C.VIEIRA,J.B.FERNANDES |
| Literature Reference Citation | PHYTOCHEM.,31,1251(1992) |
| Literature Reference DOI | 10.1016/0031-9422(92)80271-F |
| Molecular Weight | 456.709 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN5114 |