| SpectraBase Compound ID | 5vPn7NRNIh |
|---|---|
| InChI | InChI=1S/C27H42O/c1-16(14-22-17(2)18(22)3)23-8-9-24-21-7-6-19-15-20(28)10-12-26(19,4)25(21)11-13-27(23,24)5/h6,16,20-25,28H,7-15H2,1-5H3/t16-,20+,21+,23-,24+,25+,26+,27-/m1/s1 |
| InChIKey | AHOIBPOCFDDLRH-RLTLIPSLSA-N |
| Mol Weight | 382.6 g/mol |
| Molecular Formula | C27H42O |
| Exact Mass | 382.323566 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | B1naiW0G6yT |
|---|---|
| Name | 23,28-Cyclo-26,27-dinorstigmast-5,23-dien-3.beta.-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 382.323565971 u |
| Formula | C27H42O |
| InChI | InChI=1S/C27H42O/c1-16(14-22-17(2)18(22)3)23-8-9-24-21-7-6-19-15-20(28)10-12-26(19,4)25(21)11-13-27(23,24)5/h6,16,20-25,28H,7-15H2,1-5H3/t16-,20+,21+,23-,24+,25+,26+,27-/m1/s1 |
| InChIKey | AHOIBPOCFDDLRH-RLTLIPSLSA-N |
| Molecular Weight | 382.632 g/mol |
| SMILES | C1(C(C)=C1C)C[C@]([C@@]1([C@@]2([C@@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](O)(C4)[H])C)[H])([H])CC1)C)[H])(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.919034 |