| SpectraBase Compound ID | A7VdFDiLL45 |
|---|---|
| InChI | InChI=1S/C30H50O3/c1-25(2)21-12-17-29(7)22(27(21,5)15-13-23(25)31)10-9-19-20(11-16-28(19,29)6)30(8)18-14-24(33-30)26(3,4)32/h19-22,24,32H,9-18H2,1-8H3/t19?,20?,21?,22?,24-,27+,28-,29-,30+/m1/s1 |
| InChIKey | XSQYWMLMQVUWSF-JTYNKRSQSA-N |
| Mol Weight | 458.7 g/mol |
| Molecular Formula | C30H50O3 |
| Exact Mass | 458.375995 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | nUA7wUsJSG |
|---|---|
| Name | OCOTILLONE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H50O3 |
| InChI | InChI=1S/C30H50O3/c1-25(2)21-12-17-29(7)22(27(21,5)15-13-23(25)31)10-9-19-20(11-16-28(19,29)6)30(8)18-14-24(33-30)26(3,4)32/h19-22,24,32H,9-18H2,1-8H3/t19?,20?,21?,22?,24-,27+,28-,29-,30+/m1/s1 |
| InChIKey | XSQYWMLMQVUWSF-JTYNKRSQSA-N |
| Literature Reference Author | W.AALBERSBERG,Y.SINGH |
| Literature Reference Citation | PHYTOCHEM.,30,921(1991) |
| Literature Reference DOI | 10.1016/0031-9422(91)85280-D |
| Molecular Weight | 458.725 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI25357 |