| SpectraBase Compound ID | FjZjoHpcqB6 |
|---|---|
| InChI | InChI=1S/C20H32O3/c1-18(2)15-6-5-13-11-19(3,17(23)12-21)9-7-14(13)20(15,4)10-8-16(18)22/h11,14-16,21-22H,5-10,12H2,1-4H3/t14-,15-,16-,19+,20+/m0/s1 |
| InChIKey | QPLUSCGQBUSKOF-WKKSIBQESA-N |
| Mol Weight | 320.5 g/mol |
| Molecular Formula | C20H32O3 |
| Exact Mass | 320.235145 g/mol |
| SpectraBase Spectrum ID | 9BAwKoh3YVq |
|---|---|
| Name | Lonchophylloid-B |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.235144887 u |
| Formula | C20H32O3 |
| InChI | InChI=1S/C20H32O3/c1-18(2)15-6-5-13-11-19(3,17(23)12-21)9-7-14(13)20(15,4)10-8-16(18)22/h11,14-16,21-22H,5-10,12H2,1-4H3/t14-,15-,16-,19+,20+/m0/s1 |
| InChIKey | QPLUSCGQBUSKOF-WKKSIBQESA-N |
| Molecular Weight | 320.473 g/mol |
| SMILES | [C@@]1(O)(CC[C@]2([C@](C1(C)C)(CCC=1[C@@]2(CC[C@@](C1)(C)C(=O)CO)[H])[H])C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.942462 |