| SpectraBase Compound ID | BZ1F9UFAy8c |
|---|---|
| InChI | InChI=1S/C28H44O/c1-17(2)18(3)7-8-19(4)26-11-12-27-25-15-21-9-10-22(29)16-24(21)20(5)23(25)13-14-28(26,27)6/h15,17-19,22,26-27,29H,7-14,16H2,1-6H3/t18-,19+,22?,26+,27-,28+/m0/s1 |
| InChIKey | CLTUWLLTMOSELG-IDMGBSFASA-N |
| Mol Weight | 396.7 g/mol |
| Molecular Formula | C28H44O |
| Exact Mass | 396.339216 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7H9Anm2k6gP |
|---|---|
| Name | 14.alpha.-Anthiaergosta-5,7,9-trien-3-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 396.339216036 u |
| Formula | C28H44O |
| InChI | InChI=1S/C28H44O/c1-17(2)18(3)7-8-19(4)26-11-12-27-25-15-21-9-10-22(29)16-24(21)20(5)23(25)13-14-28(26,27)6/h15,17-19,22,26-27,29H,7-14,16H2,1-6H3/t18-,19+,22?,26+,27-,28+/m0/s1 |
| InChIKey | CLTUWLLTMOSELG-IDMGBSFASA-N |
| Molecular Weight | 396.659 g/mol |
| SMILES | C1(=C2C(=CC3=C1CC[C@]1([C@]3(CC[C@@]1([C@@](CC[C@@](C(C)C)(C)[H])(C)[H])[H])[H])C)CCC(C2)O)C |