| SpectraBase Compound ID | 6DA8oN0Cmfi |
|---|---|
| InChI | InChI=1S/C30H48O3/c1-19(2)9-8-10-21(5)23-13-15-27(6)24-12-11-22(20(3)4)29(16-14-26(32)33)18-30(24,29)17-25(31)28(23,27)7/h9,21-25,31H,3,8,10-18H2,1-2,4-7H3,(H,32,33)/t21-,22-,23-,24+,25-,27+,28+,29-,30+/m1/s1 |
| InChIKey | YPWXGVGDDGKKHI-NCYIUJDGSA-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 | HwO5g33uSSs |
|---|---|
| Name | 3,4-SECO-CYCLOART-12-HYDROXY-4(28),24-DIEN-3-OIC-ACID |
| Compound Number | 19 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H48O3 |
| InChI | InChI=1S/C30H48O3/c1-19(2)9-8-10-21(5)23-13-15-27(6)24-12-11-22(20(3)4)29(16-14-26(32)33)18-30(24,29)17-25(31)28(23,27)7/h9,21-25,31H,3,8,10-18H2,1-2,4-7H3,(H,32,33)/t21-,22-,23-,24+,25-,27+,28+,29-,30+/m1/s1 |
| InChIKey | YPWXGVGDDGKKHI-NCYIUJDGSA-N |
| Literature Reference Author | M.P.POPOVA,I.B.CHINOU,I.N.MAREKOV,V.S.BANKOVA |
| Literature Reference Citation | PHYTOCHEM.,70,1262(2009) |
| Literature Reference DOI | 10.1016/j.phytochem.2009.07.025 |
| Molecular Weight | 456.709 g/mol |
| Sample ID | 45580 |
| Solvent | CDCl3 |