| SpectraBase Compound ID | IMCN2pYuoRA |
|---|---|
| InChI | InChI=1S/C60H82O5Si2/c1-45(26-24-40-59(8,9)63-44-62-11)53-38-39-54-46(27-25-41-60(53,54)10)36-37-47-42-48(64-66(57(2,3)4,49-28-16-12-17-29-49)50-30-18-13-19-31-50)43-55(56(47)61)65-67(58(5,6)7,51-32-20-14-21-33-51)52-34-22-15-23-35-52/h12-23,28-37,45,48,53-55H,24-27,38-44H2,1-11H3/b46-36+,47-37+/t45-,48-,53?,54?,55+,60?/m1/s1 |
| InChIKey | PSBUZOLTZQMYRD-PZUMEAPVSA-N |
| Mol Weight | 939.5 g/mol |
| Molecular Formula | C60H82O5Si2 |
| Exact Mass | 938.570079 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9zPRCVMLi0n |
|---|---|
| Name | 10-oxo-19-nor-1.alpha.,25-Dihydroxyvitamin D3 1,3-di-tert-butyldiphenylsilyl 25-methoxymethyl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 938.570078805 u |
| Formula | C60H82O5Si2 |
| InChI | InChI=1S/C60H82O5Si2/c1-45(26-24-40-59(8,9)63-44-62-11)53-38-39-54-46(27-25-41-60(53,54)10)36-37-47-42-48(64-66(57(2,3)4,49-28-16-12-17-29-49)50-30-18-13-19-31-50)43-55(56(47)61)65-67(58(5,6)7,51-32-20-14-21-33-51)52-34-22-15-23-35-52/h12-23,28-37,45,48,53-55H,24-27,38-44H2,1-11H3/b46-36+,47-37+/t45-,48-,53?,54?,55+,60?/m1/s1 |
| InChIKey | PSBUZOLTZQMYRD-PZUMEAPVSA-N |
| Molecular Weight | 939.481 g/mol |
| SMILES | C12(C(\C(=C\C=C\3C([C@@](O[Si](C(C)(C)C)(C4=CC=CC=C4)C=4C=CC=CC4)(C[C@](O[Si](C(C)(C)C)(C=4C=CC=CC4)C=4C=CC=CC4)(C3)[H])[H])=O)CCC1)CCC2[C@@](CCCC(OCOC)(C)C)(C)[H])C |