| SpectraBase Compound ID | CP4qkrJqSEe |
|---|---|
| InChI | InChI=1S/C25H40O4/c1-16(26)28-20-14-24(6,21-15-27-23(4,5)29-21)13-17-10-11-18-19(25(17,20)7)9-8-12-22(18,2)3/h11,17,19-21H,8-10,12-15H2,1-7H3/t17-,19-,20+,21+,24+,25-/m0/s1 |
| InChIKey | DTKGRIXUBWEDRF-JQXJTPCMSA-N |
| Mol Weight | 404.6 g/mol |
| Molecular Formula | C25H40O4 |
| Exact Mass | 404.29266 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Iyte8nzv960 |
|---|---|
| Name | (15S)-11.beta.Acetoxy-15,16-bis(isopropylidenedioxy)-ros-5-ene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 404.292659764 u |
| Formula | C25H40O4 |
| InChI | InChI=1S/C25H40O4/c1-16(26)28-20-14-24(6,21-15-27-23(4,5)29-21)13-17-10-11-18-19(25(17,20)7)9-8-12-22(18,2)3/h11,17,19-21H,8-10,12-15H2,1-7H3/t17-,19-,20+,21+,24+,25-/m0/s1 |
| InChIKey | DTKGRIXUBWEDRF-JQXJTPCMSA-N |
| Molecular Weight | 404.591 g/mol |
| SMILES | [C@]12([C@@]3(C(C(C)(C)CCC3)=CC[C@]1(C[C@]([C@@]1(OC(C)(C)OC1)[H])(C)C[C@]2(OC(=O)C)[H])[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.8719 |