| SpectraBase Compound ID | HFDzcO7mk6Q |
|---|---|
| InChI | InChI=1S/C32H54O/c1-9-23(21(2)3)11-10-22(4)24-14-16-30(8)26-13-12-25-28(5,6)27(33)15-17-31(25)20-32(26,31)19-18-29(24,30)7/h22-27,33H,2,9-20H2,1,3-8H3/t22-,23+,24-,25?,26+,27+,29-,30+,31-,32+/m1/s1 |
| InChIKey | SCZACXVTRCZQAH-DYSFQACVSA-N |
| Mol Weight | 454.8 g/mol |
| Molecular Formula | C32H54O |
| Exact Mass | 454.417466 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DNgQh5gaULJ |
|---|---|
| Name | 24S-Ethyl-9.beta.,19-cyclolanost-25-ene-3.beta.-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 454.417466358 u |
| Formula | C32H54O |
| InChI | InChI=1S/C32H54O/c1-9-23(21(2)3)11-10-22(4)24-14-16-30(8)26-13-12-25-28(5,6)27(33)15-17-31(25)20-32(26,31)19-18-29(24,30)7/h22-27,33H,2,9-20H2,1,3-8H3/t22-,23+,24-,25?,26+,27+,29-,30+,31-,32+/m1/s1 |
| InChIKey | SCZACXVTRCZQAH-DYSFQACVSA-N |
| Molecular Weight | 454.783 g/mol |
| SMILES | [C@]123[C@@]4(C(C(C)(C)[C@](CC4)(O)[H])CC[C@]3([C@@]3(CC[C@@]([C@]3(CC1)C)([C@@](CC[C@@](C(=C)C)(CC)[H])(C)[H])[H])C)[H])C2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.885192 |