| SpectraBase Compound ID | BXGML7MbZ0N |
|---|---|
| InChI | InChI=1S/C40H62O3Si/c1-28(2)15-14-16-30(4)35-23-24-36-34(37(25-26-40(35,36)8)42-38(41)31-17-12-11-13-18-31)22-20-32-27-33(21-19-29(32)3)43-44(9,10)39(5,6)7/h11-13,17-18,20,22,28,30,33,35-37H,3,14-16,19,21,23-27H2,1-2,4-10H3/b32-20+,34-22+/t30-,33+,35-,36?,37-,40-/m1/s1 |
| InChIKey | JYYRUKAAQTYEIC-NAJZRSDMSA-N |
| Mol Weight | 619.0 g/mol |
| Molecular Formula | C40H62O3Si |
| Exact Mass | 618.446822 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9a4vRli69Zl |
|---|---|
| Name | 9.alpha.-(benzoyloxy)-(7E)-vitamin D3 tert-Butyldimethylsilyl Ether |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C40H62O3Si |
| InChI | InChI=1S/C40H62O3Si/c1-28(2)15-14-16-30(4)35-23-24-36-34(37(25-26-40(35,36)8)42-38(41)31-17-12-11-13-18-31)22-20-32-27-33(21-19-29(32)3)43-44(9,10)39(5,6)7/h11-13,17-18,20,22,28,30,33,35-37H,3,14-16,19,21,23-27H2,1-2,4-10H3/b32-20+,34-22+/t30-,33+,35-,36?,37-,40-/m1/s1 |
| InChIKey | JYYRUKAAQTYEIC-NAJZRSDMSA-N |
| Molecular Weight | 619.018 g/mol |
| SMILES | [C@]12(C(\C(=C/C=C/3C(CC[C@](O[Si](C(C)(C)C)(C)C)(C3)[H])=C)[C@@](CC1)(OC(=O)c1ccccc1)[H])CC[C@@]2([C@@](CCCC(C)C)(C)[H])[H])C |
| SPLASH | splash10-05dl-8920000000-973a061e61cafe8e139a |
| Source of Spectrum | J-56-3586-13 |
| Synonyms | (3S,5E,7E,9alpha)-3-{[tert-butyl(dimethyl)silyl]oxy}-9,10-secocholesta-5,7,10-trien-9-yl benzoate |
| Wiley ID | 1411464 |