| SpectraBase Compound ID | 8MjcB3DnWS1 |
|---|---|
| InChI | InChI=1S/C28H46O3/c1-19(9-7-15-26(3,4)30)24-13-14-25-21(10-8-16-27(24,25)5)11-12-22-17-23(29)18-28(6,31)20(22)2/h10-12,19,23-25,29-31H,7-9,13-18H2,1-6H3/b12-11-/t19-,23-,24?,25?,27?,28-/m1/s1 |
| InChIKey | QBEUYDPJMWCIEY-RMISPVNHSA-N |
| Mol Weight | 430.7 g/mol |
| Molecular Formula | C28H46O3 |
| Exact Mass | 430.344695 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HJGrl4pk6nQ |
|---|---|
| Name | 1.beta.-Methyl-1.alpha.-hydroxyprevitamin D3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H46O3 |
| InChI | InChI=1S/C28H46O3/c1-19(9-7-15-26(3,4)30)24-13-14-25-21(10-8-16-27(24,25)5)11-12-22-17-23(29)18-28(6,31)20(22)2/h10-12,19,23-25,29-31H,7-9,13-18H2,1-6H3/b12-11-/t19-,23-,24?,25?,27?,28-/m1/s1 |
| InChIKey | QBEUYDPJMWCIEY-RMISPVNHSA-N |
| Molecular Weight | 430.673 g/mol |
| SMILES | O[C@@]1(C[C@@](CC(=C1C)\C=C/C=1C2C(C(CC2)[C@@](CCCC(O)(C)C)(C)[H])(CCC1)C)(O)[H])C |
| SPLASH | splash10-1000-0901100000-f591685af8e2f81aa62f |
| Source of Spectrum | J-60-1833-17 |
| Wiley ID | 1381787 |