| SpectraBase Compound ID | IKAd8VN3mRL |
|---|---|
| InChI | InChI=1S/C34H64O2Si2/c1-24(13-14-25(2)32(3,4)36-38(10,11)12)29-17-18-30-28-16-15-26-23-27(35-37(7,8)9)19-21-33(26,5)31(28)20-22-34(29,30)6/h15,24-25,27-31H,13-14,16-23H2,1-12H3/t24-,25?,27+,28+,29-,30+,31+,33+,34-/m1/s1 |
| InChIKey | BGKAEWXFXHEFSY-ULQUURHSSA-N |
| Mol Weight | 561.1 g/mol |
| Molecular Formula | C34H64O2Si2 |
| Exact Mass | 560.444484 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I94Dn4o76Gy |
|---|---|
| Name | Ergost-5-ene-3,25-diol, 2tms derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 560.444484369 u |
| Formula | C34H64O2Si2 |
| InChI | InChI=1S/C34H64O2Si2/c1-24(13-14-25(2)32(3,4)36-38(10,11)12)29-17-18-30-28-16-15-26-23-27(35-37(7,8)9)19-21-33(26,5)31(28)20-22-34(29,30)6/h15,24-25,27-31H,13-14,16-23H2,1-12H3/t24-,25?,27+,28+,29-,30+,31+,33+,34-/m1/s1 |
| InChIKey | BGKAEWXFXHEFSY-ULQUURHSSA-N |
| Molecular Weight | 561.054 g/mol |
| SMILES | [C@]1(CC[C@]2(C(C1)=CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]2([C@@](CCC(C(C)(C)O[Si](C)(C)C)C)(C)[H])[H])[H])C)[H])[H])C)(O[Si](C)(C)C)[H] |