| SpectraBase Spectrum ID |
65E9S9QPuog |
| Name |
Dimethyl 16.alpha.-kauran-17,19-dioate |
| 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/c1-20-9-5-10-21(2,19(24)26-4)16(20)8-11-22-12-14(6-7-17(20)22)15(13-22)18(23)25-3/h14-17H,5-13H2,1-4H3/t14-,15-,16-,17-,20+,21?,22-/m1/s1 |
| InChIKey |
USASLHCCADYMNF-YWHGICPASA-N |
| Molecular Weight |
362.510 g/mol |
| SMILES |
[C@]123[C@@]([C@]4(CCCC([C@@]4(CC3)[H])(C(=O)OC)C)C)(CC[C@](C2)([C@@](C1)(C(=O)OC)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.825126 |
