| SpectraBase Compound ID | 7v6DphTuyk0 |
|---|---|
| InChI | InChI=1S/C27H42O/c1-17(5-6-19-15-18(19)2)23-9-10-24-22-8-7-20-16-21(28)11-13-26(20,3)25(22)12-14-27(23,24)4/h5-7,17-19,21-25,28H,8-16H2,1-4H3/b6-5+/t17-,18+,19+,21+,22+,23-,24+,25+,26+,27-/m1/s1 |
| InChIKey | HKPWFXFDARLLFG-BOESTMBDSA-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 | O3i9KFIJ67 |
|---|---|
| Name | Glaucasterol |
| 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/c1-17(5-6-19-15-18(19)2)23-9-10-24-22-8-7-20-16-21(28)11-13-26(20,3)25(22)12-14-27(23,24)4/h5-7,17-19,21-25,28H,8-16H2,1-4H3/b6-5+/t17-,18+,19+,21+,22+,23-,24+,25+,26+,27-/m1/s1 |
| InChIKey | HKPWFXFDARLLFG-BOESTMBDSA-N |
| Molecular Weight | 382.632 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@@](C4)(O)[H])C)[H])(CC[C@@]1([C@@](\C=C\[C@]1(C[C@@]1(C)[H])[H])(C)[H])[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.857977 |