| SpectraBase Compound ID | 5L7wDXcylVk |
|---|---|
| InChI | InChI=1S/C26H42O2/c1-6-7-17(2)22-10-11-23-21-9-8-19-16-20(28-18(3)27)12-14-25(19,4)24(21)13-15-26(22,23)5/h6-7,17,19-24H,8-16H2,1-5H3/b7-6+/t17-,19+,20+,21?,22-,23?,24?,25+,26-/m1/s1 |
| InChIKey | JZKUCNFJKIDKHI-OYVMHIASSA-N |
| Mol Weight | 386.6 g/mol |
| Molecular Formula | C26H42O2 |
| Exact Mass | 386.318481 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7zI57jEI6WY |
|---|---|
| Name | (22E)-5.alpha.-Chol-22-en-3.beta.-yl acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 386.318480590 u |
| Formula | C26H42O2 |
| InChI | InChI=1S/C26H42O2/c1-6-7-17(2)22-10-11-23-21-9-8-19-16-20(28-18(3)27)12-14-25(19,4)24(21)13-15-26(22,23)5/h6-7,17,19-24H,8-16H2,1-5H3/b7-6+/t17-,19+,20+,21?,22-,23?,24?,25+,26-/m1/s1 |
| InChIKey | JZKUCNFJKIDKHI-OYVMHIASSA-N |
| Molecular Weight | 386.620 g/mol |
| SMILES | [C@@]12(C(C3CC[C@@]4([C@@](C3CC2)(CC[C@](OC(=O)C)(C4)[H])C)[H])CC[C@@]1([C@@](\C=C\C)(C)[H])[H])C |