| SpectraBase Compound ID | 3bYpZnW9Hlz |
|---|---|
| InChI | InChI=1S/C32H54O/c1-8-23(26(9-2)21(3)4)11-10-22(5)28-14-15-29-27-13-12-24-20-25(33)16-18-31(24,6)30(27)17-19-32(28,29)7/h13,22-26,28-30,33H,3,8-12,14-20H2,1-2,4-7H3/t22-,23?,24?,25+,26?,28-,29+,30+,31+,32-/m1/s1 |
| InChIKey | DKQVQUXYUJYSOV-WRLSGVSKSA-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 | EQnMJGqPq2Y |
|---|---|
| Name | 24-Ethyl-26,26,27-trimethyl-3.beta.-hydroxycholesta-7,26-(30)-diene |
| 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/c1-8-23(26(9-2)21(3)4)11-10-22(5)28-14-15-29-27-13-12-24-20-25(33)16-18-31(24,6)30(27)17-19-32(28,29)7/h13,22-26,28-30,33H,3,8-12,14-20H2,1-2,4-7H3/t22-,23?,24?,25+,26?,28-,29+,30+,31+,32-/m1/s1 |
| InChIKey | DKQVQUXYUJYSOV-WRLSGVSKSA-N |
| Molecular Weight | 454.783 g/mol |
| SMILES | C=12[C@]3([C@]([C@@]([C@@](CCC(C(C(=C)C)CC)CC)(C)[H])(CC3)[H])(C)CC[C@@]2([C@]2(CC[C@@](CC2CC1)(O)[H])C)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.940835 |