| SpectraBase Compound ID | CYmxsNZjqdB |
|---|---|
| InChI | InChI=1S/C29H48O3/c1-18-6-11-27(31-17-18)19(2)24-9-10-25-23-8-7-21-16-22(32-20(3)30)12-14-28(21,4)26(23)13-15-29(24,25)5/h18-19,21-27H,6-17H2,1-5H3/t18-,19+,21?,22+,23+,24-,25+,26+,27?,28+,29-/m1/s1 |
| InChIKey | CUQAVLQNDVXXCM-FYVYDAMGSA-N |
| Mol Weight | 444.7 g/mol |
| Molecular Formula | C29H48O3 |
| Exact Mass | 444.360345 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | WPNXjjfJaW |
|---|---|
| Name | Cholestan-22(26)-epoxy-3.beta.-ol acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 444.360345403 u |
| Formula | C29H48O3 |
| InChI | InChI=1S/C29H48O3/c1-18-6-11-27(31-17-18)19(2)24-9-10-25-23-8-7-21-16-22(32-20(3)30)12-14-28(21,4)26(23)13-15-29(24,25)5/h18-19,21-27H,6-17H2,1-5H3/t18-,19+,21?,22+,23+,24-,25+,26+,27?,28+,29-/m1/s1 |
| InChIKey | CUQAVLQNDVXXCM-FYVYDAMGSA-N |
| Molecular Weight | 444.700 g/mol |
| SMILES | [C@]1(CC[C@]2(C(C1)CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]2([C@](C)(C1OC[C@@](CC1)(C)[H])[H])[H])[H])C)[H])[H])C)(OC(C)=O)[H] |