| SpectraBase Compound ID | 4U2HtTwmCmk |
|---|---|
| InChI | InChI=1S/C29H48O/c1-20(2)10-8-11-21(3)25-16-17-26-23(12-9-19-29(25,26)7)14-15-24-22(4)13-18-27(30)28(24,5)6/h14-15,20-21,25-27,30H,4,8-13,16-19H2,1-3,5-7H3/b23-14+,24-15+/t21-,25-,26?,27+,29-/m1/s1 |
| InChIKey | CSBYSVZLWVNZSA-MQSYYBQASA-N |
| Mol Weight | 412.7 g/mol |
| Molecular Formula | C29H48O |
| Exact Mass | 412.370516 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | bYOcd4NLvt |
|---|---|
| Name | 4,4-DIMETHYL-VITAMIN-D3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H48O |
| InChI | InChI=1S/C29H48O/c1-20(2)10-8-11-21(3)25-16-17-26-23(12-9-19-29(25,26)7)14-15-24-22(4)13-18-27(30)28(24,5)6/h14-15,20-21,25-27,30H,4,8-13,16-19H2,1-3,5-7H3/b23-14+,24-15+/t21-,25-,26?,27+,29-/m1/s1 |
| InChIKey | CSBYSVZLWVNZSA-MQSYYBQASA-N |
| Literature Reference Author | E.BERMAN,N.FRIEDMAN,Y.MAZUR,M.SHEVES |
| Literature Reference Citation | J.AM.CHEM.SOC.,100,5626(1978) |
| Literature Reference DOI | 10.1021/ja00486a008 |
| Molecular Weight | 412.700 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWWR5077 |