| SpectraBase Compound ID | 21t57P5etdf |
|---|---|
| InChI | InChI=1S/C34H58O6/c1-25(12-10-18-32(3,4)39-23-36-8)30-16-17-31-27(13-11-19-33(30,31)5)14-15-28-20-29(38-22-35-7)21-34(6,26(28)2)40-24-37-9/h14-15,25,29-31H,2,10-13,16-24H2,1,3-9H3/b27-14+,28-15-/t25-,29-,30-,31?,33-,34-/m1/s1 |
| InChIKey | BMNVKFJIZAVOMT-QOTNVXSKSA-N |
| Mol Weight | 562.8 g/mol |
| Molecular Formula | C34H58O6 |
| Exact Mass | 562.42334 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3jtye2gyHn1 |
|---|---|
| Name | 1.alpha.,25-Dihydroxy-1.beta.-methylvitamin D3 tris(methoxymethyl) ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 562.423339582 u |
| Formula | C34H58O6 |
| InChI | InChI=1S/C34H58O6/c1-25(12-10-18-32(3,4)39-23-36-8)30-16-17-31-27(13-11-19-33(30,31)5)14-15-28-20-29(38-22-35-7)21-34(6,26(28)2)40-24-37-9/h14-15,25,29-31H,2,10-13,16-24H2,1,3-9H3/b27-14+,28-15-/t25-,29-,30-,31?,33-,34-/m1/s1 |
| InChIKey | BMNVKFJIZAVOMT-QOTNVXSKSA-N |
| Molecular Weight | 562.832 g/mol |
| SMILES | [C@]12(C(\C(=C\C=C/3C([C@@](OCOC)(C)C[C@@](C3)(OCOC)[H])=C)CCC1)CC[C@@]2([C@@](CCCC(OCOC)(C)C)(C)[H])[H])C |