| SpectraBase Compound ID | F73eovRnUWt |
|---|---|
| InChI | InChI=1S/C24H40O5/c1-15(11-13-28-17(3)25)8-9-19-16(2)20(27)14-21-23(5,6)22(29-18(4)26)10-12-24(19,21)7/h15,19-22,27H,2,8-14H2,1,3-7H3/t15-,19-,20+,21-,22-,24+/m0/s1 |
| InChIKey | APIWSSSUHLGHJD-CPNXEROCSA-N |
| Mol Weight | 408.6 g/mol |
| Molecular Formula | C24H40O5 |
| Exact Mass | 408.287574 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Ebm0XQXDtPI |
|---|---|
| Name | 3.beta.,15-Diacetoxy-8(17)-labden-7-.alpha.-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 408.287574383 u |
| Formula | C24H40O5 |
| InChI | InChI=1S/C24H40O5/c1-15(11-13-28-17(3)25)8-9-19-16(2)20(27)14-21-23(5,6)22(29-18(4)26)10-12-24(19,21)7/h15,19-22,27H,2,8-14H2,1,3-7H3/t15-,19-,20+,21-,22-,24+/m0/s1 |
| InChIKey | APIWSSSUHLGHJD-CPNXEROCSA-N |
| Molecular Weight | 408.579 g/mol |
| SMILES | [C@@]12([C@](C(C)(C)[C@](CC2)(OC(=O)C)[H])(C[C@@](O)(C([C@@]1(CC[C@@](CCOC(=O)C)(C)[H])[H])=C)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.948398 |