| SpectraBase Compound ID | 151UvCQ1yka |
|---|---|
| InChI | InChI=1S/C30H48OSi/c1-20(2)21(3)9-10-22(4)28-15-16-29-27-13-11-23-19-24(31-32(6,7)8)12-14-25(23)26(27)17-18-30(28,29)5/h9-11,13,20-22,24,28-29H,12,14-19H2,1-8H3/b10-9+/t21-,22+,24-,28+,29-,30+/m0/s1 |
| InChIKey | ITPJSZMGWOGMNS-JWHFHPCFSA-N |
| Mol Weight | 452.8 g/mol |
| Molecular Formula | C30H48OSi |
| Exact Mass | 452.347443 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F7HgHlFfrCr |
|---|---|
| Name | 19-nor-Ergosta-5,7,9,22-tetraen-3.beta.-ol - trimethylsilyl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 452.347442700 u |
| Formula | C30H48OSi |
| InChI | InChI=1S/C30H48OSi/c1-20(2)21(3)9-10-22(4)28-15-16-29-27-13-11-23-19-24(31-32(6,7)8)12-14-25(23)26(27)17-18-30(28,29)5/h9-11,13,20-22,24,28-29H,12,14-19H2,1-8H3/b10-9+/t21-,22+,24-,28+,29-,30+/m0/s1 |
| InChIKey | ITPJSZMGWOGMNS-JWHFHPCFSA-N |
| Molecular Weight | 452.798 g/mol |
| SMILES | [C@@]12([C@](C3=CC=C4C(=C3CC2)CC[C@](O[Si](C)(C)C)(C4)[H])(CC[C@@]1([C@@](\C=C\[C@@](C(C)C)(C)[H])(C)[H])[H])[H])C |