| SpectraBase Compound ID | 7ZXl17FCnZb |
|---|---|
| InChI | InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h11,19-23,25-27,30H,7-10,12-18H2,1-6H3/t20-,21-,22?,23+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | YSKVBPGQYRAUQO-NEWNUQLJSA-N |
| Mol Weight | 414.7 g/mol |
| Molecular Formula | C29H50O |
| Exact Mass | 414.386166 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3OPkL4qbegU |
|---|---|
| Name | Stigmast-7-en-3-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 414.386166229 u |
| Formula | C29H50O |
| InChI | InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h11,19-23,25-27,30H,7-10,12-18H2,1-6H3/t20-,21-,22?,23+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | YSKVBPGQYRAUQO-NEWNUQLJSA-N |
| Molecular Weight | 414.718 g/mol |
| SMILES | C1C[C@]2(C(C[C@]1(O)[H])CC=C1[C@@]2(CC[C@]2([C@]1(CC[C@@]2([C@@](CC[C@](C(C)C)(CC)[H])(C)[H])[H])[H])C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.929619 |