| SpectraBase Compound ID | 5oV7wUqxgvA |
|---|---|
| InChI | InChI=1S/C27H46O3/c1-18(8-6-14-26(3,4)30)22-12-13-23-21(9-7-15-27(22,23)5)11-10-20-16-24(28)19(2)25(29)17-20/h10-11,18-19,22-25,28-30H,6-9,12-17H2,1-5H3/b20-10-,21-11+/t18-,19?,22-,23+,24-,25-,27-/m1/s1 |
| InChIKey | OZPNRDQPQFOURL-UZFYCILOSA-N |
| Mol Weight | 418.7 g/mol |
| Molecular Formula | C27H46O3 |
| Exact Mass | 418.344695 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GtYB8I7dM0C |
|---|---|
| Name | 2.beta.-Methyl-19-nor-1.alpha.,25-dihydroxyvitamin D3 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 418.344695338 u |
| Formula | C27H46O3 |
| InChI | InChI=1S/C27H46O3/c1-18(8-6-14-26(3,4)30)22-12-13-23-21(9-7-15-27(22,23)5)11-10-20-16-24(28)19(2)25(29)17-20/h10-11,18-19,22-25,28-30H,6-9,12-17H2,1-5H3/b20-10-,21-11+/t18-,19?,22-,23+,24-,25-,27-/m1/s1 |
| InChIKey | OZPNRDQPQFOURL-UZFYCILOSA-N |
| Molecular Weight | 418.662 g/mol |
| SMILES | [C@]12([C@](\C(=C\C=C3C[C@@](O)(C([C@@](C3)(O)[H])C)[H])CCC1)(CC[C@@]2([C@@](CCCC(O)(C)C)(C)[H])[H])[H])C |