| SpectraBase Compound ID | 10hpYC62akE |
|---|---|
| InChI | InChI=1S/C22H34O4/c1-8-20(5)11-9-16-21(6,26-20)12-10-15-19(3,4)17(24)13-18(22(15,16)7)25-14(2)23/h8,15-16,18H,1,9-13H2,2-7H3/t15?,16?,18-,20+,21+,22-/m1/s1 |
| InChIKey | OZKWCACSNUGEIT-JSIKIEJASA-N |
| Mol Weight | 362.5 g/mol |
| Molecular Formula | C22H34O4 |
| Exact Mass | 362.24571 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Dii9gl5Fvfm |
|---|---|
| Name | ent-1.beta.-Acetoxy-3-oxo-13-epi-manoyl oxide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 362.245709571 u |
| Formula | C22H34O4 |
| InChI | InChI=1S/C22H34O4/c1-8-20(5)11-9-16-21(6,26-20)12-10-15-19(3,4)17(24)13-18(22(15,16)7)25-14(2)23/h8,15-16,18H,1,9-13H2,2-7H3/t15?,16?,18-,20+,21+,22-/m1/s1 |
| InChIKey | OZKWCACSNUGEIT-JSIKIEJASA-N |
| Molecular Weight | 362.510 g/mol |
| SMILES | [C@]12(C(C(C)(C)C(C[C@]2(OC(=O)C)[H])=O)CC[C@]2(C1CC[C@@](C=C)(C)O2)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.965265 |