| SpectraBase Compound ID | 4U5uXKIs4fB |
|---|---|
| InChI | InChI=1S/C28H46O2/c1-18(2)9-7-10-19(3)25-12-13-26-22(11-8-14-28(25,26)6)15-20(4)24-16-23(29)17-27(30)21(24)5/h15,18-19,23,25-27,29-30H,5,7-14,16-17H2,1-4,6H3/b22-15+,24-20-/t19-,23-,25-,26+,27+,28-/m1/s1 |
| InChIKey | XYOADFGJODJSFV-ZFGZUKOHSA-N |
| Mol Weight | 414.7 g/mol |
| Molecular Formula | C28H46O2 |
| Exact Mass | 414.349781 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GlUaXSjagMP |
|---|---|
| Name | 1-ALPHA-HYDROXY-6-METHYL-VITAMIN-D(3) |
| Compound Number | 1C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H46O2 |
| InChI | InChI=1S/C28H46O2/c1-18(2)9-7-10-19(3)25-12-13-26-22(11-8-14-28(25,26)6)15-20(4)24-16-23(29)17-27(30)21(24)5/h15,18-19,23,25-27,29-30H,5,7-14,16-17H2,1-4,6H3/b22-15+,24-20-/t19-,23-,25-,26+,27+,28-/m1/s1 |
| InChIKey | XYOADFGJODJSFV-ZFGZUKOHSA-N |
| Literature Reference Author | C.GOMEZ-REINO,C.VITALE,M.MAESTRO,A.MOURINO |
| Literature Reference Citation | ORG.LETTERS,7,5885(2005) |
| Literature Reference DOI | 10.1021/ol052489c |
| Molecular Weight | 414.672 g/mol |
| Sample ID | 43527 |
| Solvent | CD2Cl2 |