| SpectraBase Compound ID | JHCPUa9wV2i |
|---|---|
| InChI | InChI=1S/C22H34O4/c1-13(2)16-9-10-21(5)18(24)11-14(3)7-8-19-22(6,26-19)12-17(20(16)21)25-15(4)23/h11,16-20,24H,1,7-10,12H2,2-6H3/b14-11+/t16-,17-,18?,19-,20?,21+,22-/m0/s1 |
| InChIKey | KICNJQFZOGISAV-KTVXPINBSA-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 | Dqv3Upxtt8E |
|---|---|
| Name | 10-Acetoxy-7,8-epoxydolabella-3(E)18-dien-2.alpha.-ol |
| 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/c1-13(2)16-9-10-21(5)18(24)11-14(3)7-8-19-22(6,26-19)12-17(20(16)21)25-15(4)23/h11,16-20,24H,1,7-10,12H2,2-6H3/b14-11+/t16-,17-,18?,19-,20?,21+,22-/m0/s1 |
| InChIKey | KICNJQFZOGISAV-KTVXPINBSA-N |
| Molecular Weight | 362.510 g/mol |
| SMILES | [C@@]12(O[C@]2(CC\C(=C\C([C@@]2(C([C@](C1)(OC(=O)C)[H])[C@@](CC2)(C(=C)C)[H])C)O)C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.819445 |