| SpectraBase Compound ID | 79DuqSFg80h |
|---|---|
| InChI | InChI=1S/C32H54O3Si/c1-10-12-25(29(33)34-11-2)27-16-15-26-24-14-13-22-21-23(35-36(8,9)30(3,4)5)17-19-31(22,6)28(24)18-20-32(26,27)7/h10,13,23-28H,1,11-12,14-21H2,2-9H3/t23-,24-,25?,26-,27+,28-,31-,32-/m0/s1 |
| InChIKey | NSZUJXPSDHCHFB-VTUBALJDSA-N |
| Mol Weight | 514.9 g/mol |
| Molecular Formula | C32H54O3Si |
| Exact Mass | 514.384222 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Ifcct8jB0oa |
|---|---|
| Name | Ethyl 3.beta.-(tert-Butyldimethylsiloxy)-20-allylpregn-5-en-21-oate |
| Alternate Name(s) | Ethyl (3beta)-3-{[tert-butyl(dimethyl)silyl]oxy}chola-5,23-dien-21-oate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H54O3Si |
| InChI | InChI=1S/C32H54O3Si/c1-10-12-25(29(33)34-11-2)27-16-15-26-24-14-13-22-21-23(35-36(8,9)30(3,4)5)17-19-31(22,6)28(24)18-20-32(26,27)7/h10,13,23-28H,1,11-12,14-21H2,2-9H3/t23-,24-,25?,26-,27+,28-,31-,32-/m0/s1 |
| InChIKey | NSZUJXPSDHCHFB-VTUBALJDSA-N |
| Molecular Weight | 514.866 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](O[Si](C(C)(C)C)(C)C)(C4)[H])C)[H])(CC[C@@]1(C(C(=O)OCC)CC=C)[H])[H])C |
| SPLASH | splash10-0a4i-0000900000-30949233dbcdc39c657c |
| Source of Spectrum | J-57-4466-12 |
| Wiley ID | 1401213 |