| SpectraBase Compound ID | PNxXf1CJib |
|---|---|
| InChI | InChI=1S/C28H46O3/c1-18(9-10-19(2)27(4,5)31)24-13-14-25-21(8-7-15-28(24,25)6)11-12-22-16-23(29)17-26(30)20(22)3/h11-12,18-19,23-26,29-31H,3,7-10,13-17H2,1-2,4-6H3/b21-11+,22-12-/t18-,19-,23-,24-,25?,26-,28-/m1/s1 |
| InChIKey | LLPKQBJHBHLEIV-DFOMLAKOSA-N |
| Mol Weight | 430.7 g/mol |
| Molecular Formula | C28H46O3 |
| Exact Mass | 430.344695 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DTqfulqSW3A |
|---|---|
| Name | (24R)-22,23-Dihydro-1.alpha.,25-dihydroxyvitamin D2 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 430.344695338 u |
| Formula | C28H46O3 |
| InChI | InChI=1S/C28H46O3/c1-18(9-10-19(2)27(4,5)31)24-13-14-25-21(8-7-15-28(24,25)6)11-12-22-16-23(29)17-26(30)20(22)3/h11-12,18-19,23-26,29-31H,3,7-10,13-17H2,1-2,4-6H3/b21-11+,22-12-/t18-,19-,23-,24-,25?,26-,28-/m1/s1 |
| InChIKey | LLPKQBJHBHLEIV-DFOMLAKOSA-N |
| Molecular Weight | 430.673 g/mol |
| SMILES | [C@]12(C(\C(=C\C=C/3C([C@](O)(C[C@@](C3)(O)[H])[H])=C)CCC1)CC[C@@]2([C@@](CC[C@](C(O)(C)C)(C)[H])(C)[H])[H])C |