| SpectraBase Compound ID | Iy2BBEDGHrv |
|---|---|
| InChI | InChI=1S/C28H44O7/c1-22(2,31)25(5,32)11-12-26(6,33)28(35)14-13-27(34)19-16-21(30)20-15-17(29)7-9-23(20,3)18(19)8-10-24(27,28)4/h11-12,16-18,20,29,31-35H,7-10,13-15H2,1-6H3/b12-11+/t17-,18-,20+,23+,24-,25?,26?,27+,28+/m0/s1 |
| InChIKey | LXQDVNLTLOFXGQ-WVUSFRCYSA-N |
| Mol Weight | 492.7 g/mol |
| Molecular Formula | C28H44O7 |
| Exact Mass | 492.308704 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LutNKqmNaF4 |
|---|---|
| Name | 3-BETA,14-ALPHA,17-ALPHA,20,24,25-HEXAHYDROXY-ERGOSTA-6-ONE-7,22-DIENE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H44O7 |
| InChI | InChI=1S/C28H44O7/c1-22(2,31)25(5,32)11-12-26(6,33)28(35)14-13-27(34)19-16-21(30)20-15-17(29)7-9-23(20,3)18(19)8-10-24(27,28)4/h11-12,16-18,20,29,31-35H,7-10,13-15H2,1-6H3/b12-11+/t17-,18-,20+,23+,24-,25?,26?,27+,28+/m0/s1 |
| InChIKey | LXQDVNLTLOFXGQ-WVUSFRCYSA-N |
| Literature Reference Author | Y.TAKAISHI,R.ADACHI,Y.MURAKAMI,T.OHASHI,K.NAKANO,T.TOMIMATSU |
| Literature Reference Citation | PHYTOCHEM.,31,243(1992) |
| Literature Reference DOI | 10.1016/0031-9422(91)83045-M |
| Molecular Weight | 492.653 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU5286 |