| SpectraBase Compound ID | 6sExvQIkQFt |
|---|---|
| InChI | InChI=1S/C34H48O3/c1-23-27(21-28(35)22-32(23)36)15-14-26-13-10-19-34(5)30(16-17-31(26)34)24(2)29(18-20-33(3,4)37-6)25-11-8-7-9-12-25/h7-9,11-12,14-15,18,20,24,28-32,35-36H,1,10,13,16-17,19,21-22H2,2-6H3/b20-18+,26-14+,27-15+/t24-,28+,29-,30-,31+,32-,34-/m1/s1 |
| InChIKey | DSKNSGFMWLGHKN-ZAUWFJIWSA-N |
| Mol Weight | 504.8 g/mol |
| Molecular Formula | C34H48O3 |
| Exact Mass | 504.360345 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9HytwqCWg52 |
|---|---|
| Name | (22S,23E)-1-ALPHA-HYDROXY-25-METHOXY-22-PHENYL-23-DEHYDROVITAMIN_D3 |
| Compound Number | 21F |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H48O3 |
| InChI | InChI=1S/C34H48O3/c1-23-27(21-28(35)22-32(23)36)15-14-26-13-10-19-34(5)30(16-17-31(26)34)24(2)29(18-20-33(3,4)37-6)25-11-8-7-9-12-25/h7-9,11-12,14-15,18,20,24,28-32,35-36H,1,10,13,16-17,19,21-22H2,2-6H3/b20-18+,26-14+,27-15+/t24-,28+,29-,30-,31+,32-,34-/m1/s1 |
| InChIKey | DSKNSGFMWLGHKN-ZAUWFJIWSA-N |
| Literature Reference Author | M.TORNEIRO,Y.FALL,L.CASTEDO,A.MOURINO |
| Literature Reference Citation | J.ORG.CHEM.,62,6344(1997) |
| Literature Reference DOI | 10.1021/jo970604u |
| Molecular Weight | 504.753 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ4437 |