| SpectraBase Compound ID | 8Xa0jo2KDy5 |
|---|---|
| InChI | InChI=1S/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17,19-20,22-27,30-31H,2,7-16H2,1,3-6H3/t19-,20+,22+,23-,24+,25+,26+,27+,28+,29-/m1/s1 |
| InChIKey | MNIVAEKDEDQBEP-UIJMGKIJSA-N |
| Mol Weight | 428.7 g/mol |
| Molecular Formula | C29H48O2 |
| Exact Mass | 428.365431 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ah0Dgfdy6wU |
|---|---|
| Name | ISODECORTINOL;STIGMASTA-5,25-DIEN-3-BETA,7-BETA-DIOL |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H48O2 |
| InChI | InChI=1S/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17,19-20,22-27,30-31H,2,7-16H2,1,3-6H3/t19-,20+,22+,23-,24+,25+,26+,27+,28+,29-/m1/s1 |
| InChIKey | MNIVAEKDEDQBEP-UIJMGKIJSA-N |
| Literature Reference Author | V.U.AHMAD,R.ALIYA,S.PERVEEN,M.SHAMEEL |
| Literature Reference Citation | PHYTOCHEM.,33,1189(1993) |
| Literature Reference DOI | 10.1016/0031-9422(93)85047-U |
| Molecular Weight | 428.699 g/mol |
| Solvent | CDCl3 |