| SpectraBase Compound ID | 4WHJUusBPf0 |
|---|---|
| InChI | InChI=1S/C20H34O3/c1-6-19(4)16(22)12-15-18(3)10-7-9-17(2,13-21)14(18)8-11-20(15,5)23-19/h6,14-16,21-22H,1,7-13H2,2-5H3/t14-,15+,16+,17+,18-,19-,20+/m0/s1 |
| InChIKey | FUHQGKBQKOYBIT-GAYLIBHVSA-N |
| Mol Weight | 322.5 g/mol |
| Molecular Formula | C20H34O3 |
| Exact Mass | 322.250795 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KXPdOHbkimM |
|---|---|
| Name | 12-beta,19-Dihydroxy-manoyl-oxide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.250794952 u |
| Formula | C20H34O3 |
| InChI | InChI=1S/C20H34O3/c1-6-19(4)16(22)12-15-18(3)10-7-9-17(2,13-21)14(18)8-11-20(15,5)23-19/h6,14-16,21-22H,1,7-13H2,2-5H3/t14-,15+,16+,17+,18-,19-,20+/m0/s1 |
| InChIKey | FUHQGKBQKOYBIT-GAYLIBHVSA-N |
| Molecular Weight | 322.489 g/mol |
| SMILES | [C@]1(O)(C[C@]2([C@](CC[C@]3([C@@](CCC[C@]23C)(C)CO)[H])(C)O[C@]1(C=C)C)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.832542 |