| SpectraBase Compound ID | 5tJcZ7oh2QR |
|---|---|
| InChI | InChI=1S/C30H48O3/c1-26(2)23-10-9-22-21(28(23,5)15-14-24(26)31)13-17-29(6)20(12-16-30(22,29)7)19-8-11-25(33-18-19)27(3,4)32/h9,19-21,23,25,32H,8,10-18H2,1-7H3/t19?,20-,21?,23?,25-,28+,29-,30+/m0/s1 |
| InChIKey | FDYYDOKKBVYCED-CXMKOOILSA-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 | 2MIFNgf0dQw |
|---|---|
| Name | 21,24R-EPOXY-25-HYDROXYTIRUCALL-7-EN-3-ONE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H48O3 |
| InChI | InChI=1S/C30H48O3/c1-26(2)23-10-9-22-21(28(23,5)15-14-24(26)31)13-17-29(6)20(12-16-30(22,29)7)19-8-11-25(33-18-19)27(3,4)32/h9,19-21,23,25,32H,8,10-18H2,1-7H3/t19?,20-,21?,23?,25-,28+,29-,30+/m0/s1 |
| InChIKey | FDYYDOKKBVYCED-CXMKOOILSA-N |
| Literature Reference Author | D.A.MULHOLLAND,M.KOTSOS,H.A.MAHOMED,D.A.H.TAYLOR |
| Literature Reference Citation | PHYTOCHEM.,49,2457(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00307-0 |
| Molecular Weight | 456.709 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU1070 |