| SpectraBase Spectrum ID |
1xH9H8Iw8vB |
| Name |
Dunniana-acid-B;3,4-seco-3-oxo-2(4)-cleroden-15-oic-acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
320.235144887 u |
| Formula |
C20H32O3 |
| InChI |
InChI=1S/C20H32O3/c1-13(10-18(22)23)6-8-19(4)14(2)7-9-20(5)15(3)16(12-21)11-17(19)20/h12-14,17H,6-11H2,1-5H3,(H,22,23)/t13?,14-,17-,19+,20+/m1/s1 |
| InChIKey |
OACSWPFHEOKUGW-JNSXJZLISA-N |
| Molecular Weight |
320.473 g/mol |
| SMILES |
C(=O)(CC(CC[C@]1([C@@](CC[C@]2(C(=C(C[C@]12[H])C=O)C)C)(C)[H])C)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.920191 |
