| SpectraBase Compound ID | 44WLFV4cIKs |
|---|---|
| InChI | InChI=1S/C45H68OSi/c1-10-34(32(2)3)22-21-33(4)40-25-26-41-39-24-23-35-31-36(27-29-44(35,8)42(39)28-30-45(40,41)9)46-47(43(5,6)7,37-17-13-11-14-18-37)38-19-15-12-16-20-38/h11-20,23,32-34,36,39-42H,10,21-22,24-31H2,1-9H3/t33-,34+,36+,39+,40-,41+,42+,44+,45-/m1/s1 |
| InChIKey | MQONMMVLLAXZES-SVWCLQEESA-N |
| Mol Weight | 653.1 g/mol |
| Molecular Formula | C45H68OSi |
| Exact Mass | 652.503943 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9iRrCfnVTlp |
|---|---|
| Name | 3-.beta.-Tert-butyldiphenylsiloxy-24-ethyl-cholest-5-ene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 652.503943344 u |
| Formula | C45H68OSi |
| InChI | InChI=1S/C45H68OSi/c1-10-34(32(2)3)22-21-33(4)40-25-26-41-39-24-23-35-31-36(27-29-44(35,8)42(39)28-30-45(40,41)9)46-47(43(5,6)7,37-17-13-11-14-18-37)38-19-15-12-16-20-38/h11-20,23,32-34,36,39-42H,10,21-22,24-31H2,1-9H3/t33-,34+,36+,39+,40-,41+,42+,44+,45-/m1/s1 |
| InChIKey | MQONMMVLLAXZES-SVWCLQEESA-N |
| Molecular Weight | 653.123 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](O[Si](C(C)(C)C)(C=2C=CC=CC2)C2=CC=CC=C2)(C4)[H])C)[H])(CC[C@@]1([C@@](CC[C@@](C(C)C)(CC)[H])(C)[H])[H])[H])C |