| SpectraBase Compound ID | 470Uk6Rn2wg |
|---|---|
| InChI | InChI=1S/C30H50O/c1-7-8-22(20(2)3)10-9-21(4)26-13-14-27-25-12-11-23-19-24(31)15-17-29(23,5)28(25)16-18-30(26,27)6/h9-11,20-22,24-28,31H,7-8,12-19H2,1-6H3/b10-9+/t21-,22+,24+,25+,26-,27+,28+,29+,30-/m1/s1 |
| InChIKey | JIOZYZADNJPAPP-AZTIFOECSA-N |
| Mol Weight | 426.7 g/mol |
| Molecular Formula | C30H50O |
| Exact Mass | 426.386166 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3e1ABscziOU |
|---|---|
| Name | (22E,24R)-24-Propylcholest-5,22-dien-3.beta.-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 426.386166229 u |
| Formula | C30H50O |
| InChI | InChI=1S/C30H50O/c1-7-8-22(20(2)3)10-9-21(4)26-13-14-27-25-12-11-23-19-24(31)15-17-29(23,5)28(25)16-18-30(26,27)6/h9-11,20-22,24-28,31H,7-8,12-19H2,1-6H3/b10-9+/t21-,22+,24+,25+,26-,27+,28+,29+,30-/m1/s1 |
| InChIKey | JIOZYZADNJPAPP-AZTIFOECSA-N |
| Molecular Weight | 426.729 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](O)(C4)[H])C)[H])(CC[C@@]1([C@@](\C=C\[C@@](C(C)C)(CCC)[H])(C)[H])[H])[H])C |