| SpectraBase Compound ID | 8lLqs6beOOJ |
|---|---|
| InChI | InChI=1S/C33H50O4/c1-23(10-8-18-32(2,3)36)27-16-17-28-26(13-9-19-33(27,28)4)15-14-25-20-29(34)31(30(35)21-25)37-22-24-11-6-5-7-12-24/h5-7,11-12,14-15,23,27-31,34-36H,8-10,13,16-22H2,1-4H3/b25-14-,26-15+/t23-,27?,28?,29-,30-,31?,33-/m1/s1 |
| InChIKey | XUYDUJWCGKCKQA-RPUFCBTLSA-N |
| Mol Weight | 510.8 g/mol |
| Molecular Formula | C33H50O4 |
| Exact Mass | 510.37091 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5SanppbYWu0 |
|---|---|
| Name | 2.alpha.-(Benzyloxy)-1.alpha.,25-dihydroxy-19-norvitamin D3 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 510.370910086 u |
| Formula | C33H50O4 |
| InChI | InChI=1S/C33H50O4/c1-23(10-8-18-32(2,3)36)27-16-17-28-26(13-9-19-33(27,28)4)15-14-25-20-29(34)31(30(35)21-25)37-22-24-11-6-5-7-12-24/h5-7,11-12,14-15,23,27-31,34-36H,8-10,13,16-22H2,1-4H3/b25-14-,26-15+/t23-,27?,28?,29-,30-,31?,33-/m1/s1 |
| InChIKey | XUYDUJWCGKCKQA-RPUFCBTLSA-N |
| Molecular Weight | 510.759 g/mol |
| SMILES | [C@@]12(C(\C(=C\C=C3C[C@@](O)(C([C@@](C3)(O)[H])OCC3=CC=CC=C3)[H])CCC2)CCC1[C@@](CCCC(O)(C)C)(C)[H])C |