| SpectraBase Compound ID | AtIpUIQGdXg |
|---|---|
| InChI | InChI=1S/C28H46O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-22,25-27,29H,7-8,11,14-18H2,1-6H3/b10-9+,23-12+,24-13+/t20?,21-,22+,25-,26+,27?,28+/m0/s1 |
| InChIKey | ILYCWAKSDCYMBB-OOIQVGFZSA-N |
| Mol Weight | 398.7 g/mol |
| Molecular Formula | C28H46O |
| Exact Mass | 398.354866 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LepfyOot4a2 |
|---|---|
| Name | DIHYDRO-TACHYSTEROL-(2);(VITAMIN-D-DERIVATIVE) |
| CAS Registry Number | 67-96-9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H46O |
| InChI | InChI=1S/C28H46O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-22,25-27,29H,7-8,11,14-18H2,1-6H3/b10-9+,23-12+,24-13+/t20?,21-,22+,25-,26+,27?,28+/m0/s1 |
| InChIKey | ILYCWAKSDCYMBB-OOIQVGFZSA-N |
| Literature Reference Author | E.BERMAN,Z.LUZ,Y.MAZUR,M.SHEVES |
| Literature Reference Citation | J.ORG.CHEM.,42,3325(1977) |
| Literature Reference DOI | 10.1021/jo00441a001 |
| Molecular Weight | 398.673 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWWR5065 |