| SpectraBase Compound ID | 1hIPiVju6Mk |
|---|---|
| InChI | InChI=1S/C27H44O/c1-7-25(3,4)17-18(2)22-10-11-23-21-9-8-19-16-20(28)12-14-26(19,5)24(21)13-15-27(22,23)6/h7,9,18-20,22-24,28H,1,8,10-17H2,2-6H3/t18-,19?,20+,22-,23+,24+,26+,27-/m1/s1 |
| InChIKey | RTRPHQFSCWDRMO-RJKACYTMSA-N |
| Mol Weight | 384.6 g/mol |
| Molecular Formula | C27H44O |
| Exact Mass | 384.339216 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GGN3RZuhqWa |
|---|---|
| Name | 26,27-Dinorcholesta-7,24-dien-3-ol, 23,23-dimethyl-, (3.beta.)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 384.339216036 u |
| Formula | C27H44O |
| InChI | InChI=1S/C27H44O/c1-7-25(3,4)17-18(2)22-10-11-23-21-9-8-19-16-20(28)12-14-26(19,5)24(21)13-15-27(22,23)6/h7,9,18-20,22-24,28H,1,8,10-17H2,2-6H3/t18-,19?,20+,22-,23+,24+,26+,27-/m1/s1 |
| InChIKey | RTRPHQFSCWDRMO-RJKACYTMSA-N |
| Molecular Weight | 384.648 g/mol |
| SMILES | C=12[C@]3([C@]([C@@]([C@@](CC(C=C)(C)C)(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) | 0.859876 |