| SpectraBase Compound ID | AmwN30INZkP |
|---|---|
| InChI | InChI=1S/C24H38O3/c1-21(2)8-6-9-22(3)17(21)7-10-23(4)18-11-16(26)15(14-25)13-24(18,5)20(27)12-19(22)23/h13-14,16-20,26-27H,6-12H2,1-5H3/t16-,17+,18+,19-,20+,22+,23+,24-/m1/s1 |
| InChIKey | DYYUCJSMROWEPH-YDDDFPBNSA-N |
| Mol Weight | 374.6 g/mol |
| Molecular Formula | C24H38O3 |
| Exact Mass | 374.282095 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | D5N6Pz6dZhw |
|---|---|
| Name | 12-o-Deacetylnorscalaral B |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 374.282095081 u |
| Formula | C24H38O3 |
| InChI | InChI=1S/C24H38O3/c1-21(2)8-6-9-22(3)17(21)7-10-23(4)18-11-16(26)15(14-25)13-24(18,5)20(27)12-19(22)23/h13-14,16-20,26-27H,6-12H2,1-5H3/t16-,17+,18+,19-,20+,22+,23+,24-/m1/s1 |
| InChIKey | DYYUCJSMROWEPH-YDDDFPBNSA-N |
| Molecular Weight | 374.565 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(C[C@@]2(O)[H])[H])(CCCC4(C)C)C)[H])C)(C[C@](C(=C1)C=O)(O)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.881345 |