![3.beta.-[(T-butyldimethyl)silyloxy]-cholest-5-en-26-oic acid](/api/spectrum/DYjeyxr6pGG/structure.png?h=300&w=458 "3.beta.-[(T-butyldimethyl)silyloxy]-cholest-5-en-26-oic acid")
| SpectraBase Compound ID | 7YBRBOcrWbE |
|---|---|
| InChI | InChI=1S/C33H58O3Si/c1-22(11-10-12-23(2)30(34)35)27-15-16-28-26-14-13-24-21-25(36-37(8,9)31(3,4)5)17-19-32(24,6)29(26)18-20-33(27,28)7/h13,22-23,25-29H,10-12,14-21H2,1-9H3,(H,34,35)/t22-,23?,25+,26+,27-,28+,29+,32+,33-/m1/s1 |
| InChIKey | PHGCQSWZWROBME-SNXLEGHNSA-N |
| Mol Weight | 530.9 g/mol |
| Molecular Formula | C33H58O3Si |
| Exact Mass | 530.415522 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DYjeyxr6pGG |
|---|---|
| Name | 3.beta.-[(T-butyldimethyl)silyloxy]-cholest-5-en-26-oic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 530.415522260 u |
| Formula | C33H58O3Si |
| InChI | InChI=1S/C33H58O3Si/c1-22(11-10-12-23(2)30(34)35)27-15-16-28-26-14-13-24-21-25(36-37(8,9)31(3,4)5)17-19-32(24,6)29(26)18-20-33(27,28)7/h13,22-23,25-29H,10-12,14-21H2,1-9H3,(H,34,35)/t22-,23?,25+,26+,27-,28+,29+,32+,33-/m1/s1 |
| InChIKey | PHGCQSWZWROBME-SNXLEGHNSA-N |
| Molecular Weight | 530.909 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@@](CCCC(C(=O)O)C)(C)[H])[H])[H])C |